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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-methylbenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-methylbenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(p-toluoylamino)thiocarbamoyl]acrylamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H21N3O4S/c1-13-4-8-15(9-5-13)19(25)22-23-20(28)21-18(24)11-7-14-6-10-16(26-2)17(12-14)27-3/h4-12H,1-3H3,(H,22,25)(H2,21,23,24,28)/b11-7+