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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-dimethoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,4-dimethoxy-benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C20H23N3O3S/c1-25-17-9-8-13(12-18(17)26-2)20(24)23-16(10-11-27-3)19-21-14-6-4-5-7-15(14)22-19/h4-9,12,16H,10-11H2,1-3H3,(H,21,22)(H,23,24)/t16-/m0/s1