(3S)-3-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: (3S)-3-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylazepan-2-one Openeye Name: (3S)-3-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylazepan-2-one CAS Name: (3S)-3-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-2-azepanone IUPAC Name: (3S)-3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylazepan-2-one Traditional Name: (3S)-3-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]azepan-2-one Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C20H20ClN3OS/c21-15-9-10-17-16(12-15)23-20(24(17)13-14-6-2-1-3-7-14)26-18-8-4-5-11-22-19(18)25/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H,22,25)/t18-/m0/s1