(E)-3-(3,4-dimethoxyphenyl)-N-[(4-prop-2-enoxyphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-prop-2-enoxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(4-allyloxyphenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-prop-2-enoxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(4-allyloxyphenyl)thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)OCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C)OC

InChI

InChI=1S/C21H22N2O4S/c1-4-13-27-17-9-7-16(8-10-17)22-21(28)23-20(24)12-6-15-5-11-18(25-2)19(14-15)26-3/h4-12,14H,1,13H2,2-3H3,(H2,22,23,24,28)/b12-6+