(E)-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O2S/c1-18(2)23(30)28-16-14-27(15-17-28)21-11-9-20(10-12-21)25-24(31)26-22(29)13-8-19-6-4-3-5-7-19/h3-13,18H,14-17H2,1-2H3,(H2,25,26,29,31)/b13-8+