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

Systemtic Name: (Z)-N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (Z)-N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (Z)-N-[[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (Z)-N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (Z)-N-[[4-[4-(4-ethylbenzoyl)piperazino]phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=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/C29H30N4O2S/c1-2-22-8-11-24(12-9-22)28(35)33-20-18-32(19-21-33)26-15-13-25(14-16-26)30-29(36)31-27(34)17-10-23-6-4-3-5-7-23/h3-17H,2,18-21H2,1H3,(H2,30,31,34,36)/b17-10-