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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(phenylmethyl)indol-3-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylindol-3-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-(phenylmethyl)-3-indolyl]thio]acetamide IUPAC Name: 2-(1-benzylindol-3-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[(1-benzylindol-3-yl)thio]-N-homoveratryl-acetamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N2O3S/c1-31-24-13-12-20(16-25(24)32-2)14-15-28-27(30)19-33-26-18-29(17-21-8-4-3-5-9-21)23-11-7-6-10-22(23)26/h3-13,16,18H,14-15,17,19H2,1-2H3,(H,28,30)