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Concept information

organooxygen compound > oxacycle > benzoxazole > benzisoxazole > 1-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzoxazole > benzisoxazole > 1-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzoxazole > benzisoxazole > 1-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea

Preferred term

1-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea  

Type

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

Broader concept

charge

  • 0

formula

  • C16H13ClN4O2S

inchi

  • InChI=1S/C16H13ClN4O2S/c17-10-5-7-11(8-6-10)18-16(24)20-19-15(22)9-13-12-3-1-2-4-14(12)23-21-13/h1-8H,9H2,(H,19,22)(H2,18,20,24)

inchikey

  • XUNYVVQWXXJYEQ-UHFFFAOYSA-N

mass

  • 360.820

monoisotopicmass

  • 360.04477

smiles

  • C1=CC=C2C(=C1)C(=NO2)CC(=O)NNC(=S)NC3=CC=C(C=C3)Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107085

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