3-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]prop-2-enamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]prop-2-enamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]prop-2-enamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-ylthio)ethyl]-2-propenamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]prop-2-enamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-ylthio)ethyl]acrylamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCCSC2=CNC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NCCSC2=CNC3=CC=CC=C32)OC

InChI

InChI=1S/C21H22N2O3S/c1-25-18-9-7-15(13-19(18)26-2)8-10-21(24)22-11-12-27-20-14-23-17-6-4-3-5-16(17)20/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,24)