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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-propoxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-propoxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-propoxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-propoxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-propoxyphenyl)thiocarbamoyl]acrylamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H24N2O4S/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/h5-12,14H,4,13H2,1-3H3,(H2,22,23,24,28)/b12-6+