N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzamide Formula: C31H34N4O2S MolecularWeight: 526.69226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NC(CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N[C@@H](CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C31H34N4O2S/c36-29(32-20-23-13-5-2-6-14-23)21-38-28-18-10-7-15-24(28)31(37)35-27(19-22-11-3-1-4-12-22)30-33-25-16-8-9-17-26(25)34-30/h1,3-4,7-12,15-18,23,27H,2,5-6,13-14,19-21H2,(H,32,36)(H,33,34)(H,35,37)/t27-/m0/s1