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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > n-(2-aminophenyl)-7-[(3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > n-(2-aminophenyl)-7-[(3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > n-(2-aminophenyl)-7-[(3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanamide

Preferred term

n-(2-aminophenyl)-7-[(3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31ClN4O3S

inchi

  • InChI=1S/C27H31ClN4O3S/c1-32-24-13-8-5-10-20(24)27(21-16-15-19(28)18-25(21)36(32,34)35)30-17-9-3-2-4-14-26(33)31-23-12-7-6-11-22(23)29/h5-8,10-13,15-16,18,27,30H,2-4,9,14,17,29H2,1H3,(H,31,33)

inchikey

  • MDZWCUNUQCQODR-UHFFFAOYSA-N

mass

  • 527.080

monoisotopicmass

  • 526.18054

smiles

  • CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)NC4=CC=CC=C4N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125437

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