N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(phenylmethylsulfanyl)propanoylamino]benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(phenylmethylsulfanyl)propanoylamino]benzamide Openeye Name: 2-(3-benzylsulfanylpropanoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzamide IUPAC Name: 2-(3-benzylsulfanylpropanoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Traditional Name: 2-[3-(benzylthio)propanoylamino]-N-homoveratryl-benzamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)CCSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)CCSCC3=CC=CC=C3)OC

InChI

InChI=1S/C27H30N2O4S/c1-32-24-13-12-20(18-25(24)33-2)14-16-28-27(31)22-10-6-7-11-23(22)29-26(30)15-17-34-19-21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)(H,29,30)