N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,5-dimethoxy-4-phenylmethoxy-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,5-dimethoxy-4-phenylmethoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-benzyloxy-3,5-dimethoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,5-dimethoxy-4-phenylmethoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-benzoxy-3,5-dimethoxy-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C27H29N3O4S/c1-32-23-15-19(16-24(33-2)25(23)34-17-18-9-5-4-6-10-18)27(31)30-22(13-14-35-3)26-28-20-11-7-8-12-21(20)29-26/h4-12,15-16,22H,13-14,17H2,1-3H3,(H,28,29)(H,30,31)/t22-/m0/s1