(2S)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2S)-2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2S)-2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2S)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide Traditional Name: (2S)-2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C25H22ClN3OS MolecularWeight: 447.97968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)SC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C25H22ClN3OS/c26-19-11-14-22-21(15-19)28-25(29(22)16-17-7-3-1-4-8-17)31-23(18-9-5-2-6-10-18)24(30)27-20-12-13-20/h1-11,14-15,20,23H,12-13,16H2,(H,27,30)/t23-/m0/s1