N-[[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C33H29ClN4O2S MolecularWeight: 581.12696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H29ClN4O2S/c34-28-16-17-30(37-19-21-38(22-20-37)31(39)18-11-24-7-3-1-4-8-24)29(23-28)35-33(41)36-32(40)27-14-12-26(13-15-27)25-9-5-2-6-10-25/h1-18,23H,19-22H2,(H2,35,36,40,41)/b18-11+