N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-(4-chlorophenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-(4-chlorophenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-(4-chlorophenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-chlorophenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[(4-chlorophenyl)thio]nicotinamide Formula: C27H21ClN4OS MolecularWeight: 484.99984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=C(N=CC=C4)SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)C4=C(N=CC=C4)SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H21ClN4OS/c28-19-12-14-20(15-13-19)34-27-21(9-6-16-29-27)26(33)32-24(17-18-7-2-1-3-8-18)25-30-22-10-4-5-11-23(22)31-25/h1-16,24H,17H2,(H,30,31)(H,32,33)/t24-/m0/s1