N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]-N-homoveratryl-propionamide Formula: C27H29N3O3S MolecularWeight: 475.60246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3S/c1-19(26(31)28-16-15-20-13-14-24(32-2)25(17-20)33-3)34-27-29-22-11-7-8-12-23(22)30(27)18-21-9-5-4-6-10-21/h4-14,17,19H,15-16,18H2,1-3H3,(H,28,31)