(2R)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: (2R)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: (2R)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4OS/c1-13(26-19-22-16-9-8-14(20)12-17(16)23-19)18(25)24(11-5-10-21)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,11H2,1H3,(H,22,23)/t13-/m1/s1