(2R)-N-(2-chloranyl-5-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[(1-methyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[(1-methylbenzimidazol-2-yl)thio]propionamide Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3N2C

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C17H15ClN4O3S/c1-10(26-17-20-13-5-3-4-6-15(13)21(17)2)16(23)19-14-9-11(22(24)25)7-8-12(14)18/h3-10H,1-2H3,(H,19,23)/t10-/m1/s1