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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > isoquinolines > 4-(3,4-dihydro-1h-isoquinolin-2-ylsulfonyl)-n-[3-(dimethylamino)propyl]-n-(6-methyl-1,3-benzothiazol-2-yl)benzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > 4-(3,4-dihydro-1h-isoquinolin-2-ylsulfonyl)-n-[3-(dimethylamino)propyl]-n-(6-methyl-1,3-benzothiazol-2-yl)benzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > 4-(3,4-dihydro-1h-isoquinolin-2-ylsulfonyl)-n-[3-(dimethylamino)propyl]-n-(6-methyl-1,3-benzothiazol-2-yl)benzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > 4-(3,4-dihydro-1h-isoquinolin-2-ylsulfonyl)-n-[3-(dimethylamino)propyl]-n-(6-methyl-1,3-benzothiazol-2-yl)benzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > 4-(3,4-dihydro-1h-isoquinolin-2-ylsulfonyl)-n-[3-(dimethylamino)propyl]-n-(6-methyl-1,3-benzothiazol-2-yl)benzamide

Preferred term

4-(3,4-dihydro-1h-isoquinolin-2-ylsulfonyl)-n-[3-(dimethylamino)propyl]-n-(6-methyl-1,3-benzothiazol-2-yl)benzamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C29H32N4O3S2

inchi

  • InChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3

inchikey

  • AVOROEGEYAGDGQ-UHFFFAOYSA-N

mass

  • 548.723

monoisotopicmass

  • 548.19158

smiles

  • CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:104003

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