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

Systemtic Name: (E)-3-phenyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O2S/c32-25(16-15-21-9-3-1-4-10-21)29-27(34)28-23-13-7-8-14-24(23)30-17-19-31(20-18-30)26(33)22-11-5-2-6-12-22/h1-16H,17-20H2,(H2,28,29,32,34)/b16-15+