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

Systemtic Name: (E)-N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-3-phenyl-N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C28H28N4O2S MolecularWeight: 484.61252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O2S/c1-21-7-10-23(11-8-21)27(34)32-19-17-31(18-20-32)25-14-12-24(13-15-25)29-28(35)30-26(33)16-9-22-5-3-2-4-6-22/h2-16H,17-20H2,1H3,(H2,29,30,33,35)/b16-9+