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

Systemtic Name: (E)-N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-13-3-5-15(6-4-13)7-12-18(26)22-20(28)24-23-19(27)16-8-10-17(11-9-16)21-14(2)25/h3-12H,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,28)/b12-7+