(E)-3-(4-methylphenyl)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)C)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H23N3O2S/c1-4-19(25)22-17-6-5-7-18(15(17)3)23-21(27)24-20(26)13-12-16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3,(H,22,25)(H2,23,24,26,27)/b13-12+