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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-chloranyl-4,5-dimethoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-chloro-4,5-dimethoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-chloro-4,5-dimethoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-chloro-4,5-dimethoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-chloro-4,5-dimethoxy-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-26-17-11-12(10-13(21)18(17)27-2)20(25)24-16(8-9-28-3)19-22-14-6-4-5-7-15(14)23-19/h4-7,10-11,16H,8-9H2,1-3H3,(H,22,23)(H,24,25)/t16-/m0/s1