(2S)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: (2S)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2S)-N-(benzylcarbamoyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: (2S)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2S)-N-(benzylcarbamoyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(benzylcarbamoyl)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]propionamide Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-11(26-18-21-14-8-7-13(19)9-15(14)22-18)16(24)23-17(25)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,21,22)(H2,20,23,24,25)/t11-/m0/s1