N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-(homoveratrylthiocarbamoyl)-3-(4-methoxyphenyl)acrylamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H24N2O4S/c1-25-17-8-4-15(5-9-17)7-11-20(24)23-21(28)22-13-12-16-6-10-18(26-2)19(14-16)27-3/h4-11,14H,12-13H2,1-3H3,(H2,22,23,24,28)