(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloranyl-4-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloranyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methyl-phenyl)propanamide CAS Name: (2S)-2-(1H-benzimidazol-2-ylthio)-N-(3-chloro-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)propanamide Traditional Name: (2S)-2-(1H-benzimidazol-2-ylthio)-N-(3-chloro-4-methyl-phenyl)propionamide Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3N2)Cl

InChI

InChI=1S/C17H16ClN3OS/c1-10-7-8-12(9-13(10)18)19-16(22)11(2)23-17-20-14-5-3-4-6-15(14)21-17/h3-9,11H,1-2H3,(H,19,22)(H,20,21)/t11-/m0/s1