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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-methylsulfanyl-1-(phenylmethyl)indol-2-yl]ethanamide Openeye Name: 2-(1-benzyl-3-methylsulfanyl-indol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(methylthio)-1-(phenylmethyl)-2-indolyl]acetamide IUPAC Name: 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[1-benzyl-3-(methylthio)indol-2-yl]-N-homoveratryl-acetamide Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)SC)OC

InChI

InChI=1S/C28H30N2O3S/c1-32-25-14-13-20(17-26(25)33-2)15-16-29-27(31)18-24-28(34-3)22-11-7-8-12-23(22)30(24)19-21-9-5-4-6-10-21/h4-14,17H,15-16,18-19H2,1-3H3,(H,29,31)