(E)-3-(4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H26N4O2S/c1-17-7-9-18(10-8-17)11-12-21(28)25-23(30)24-20-6-4-3-5-19(20)22(29)27-15-13-26(2)14-16-27/h3-12H,13-16H2,1-2H3,(H2,24,25,28,30)/b12-11+