4-phenyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-phenyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-phenyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: 4-phenyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-phenyl-N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]benzamide Formula: C33H30N4O2S MolecularWeight: 546.6819

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C33H30N4O2S/c38-31(20-11-25-7-3-1-4-8-25)37-23-21-36(22-24-37)30-18-16-29(17-19-30)34-33(40)35-32(39)28-14-12-27(13-15-28)26-9-5-2-6-10-26/h1-20H,21-24H2,(H2,34,35,39,40)/b20-11+