(E)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(4-methylpiperazino)phenyl]thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C24H30N4OS/c1-18(2)20-7-4-19(5-8-20)6-13-23(29)26-24(30)25-21-9-11-22(12-10-21)28-16-14-27(3)15-17-28/h4-13,18H,14-17H2,1-3H3,(H2,25,26,29,30)/b13-6+