N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H29N3O4S/c1-28-19-13-15(14-20(29-2)22(19)30-3)9-10-21(27)24-18(11-12-31-4)23-25-16-7-5-6-8-17(16)26-23/h5-8,13-14,18H,9-12H2,1-4H3,(H,24,27)(H,25,26)