N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C31H26ClFN4O2S MolecularWeight: 573.080143

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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)C5=CC=CC=C5F

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)C5=CC=CC=C5F

InChI

InChI=1S/C31H26ClFN4O2S/c32-24-14-15-28(36-16-18-37(19-17-36)30(39)25-8-4-5-9-26(25)33)27(20-24)34-31(40)35-29(38)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-15,20H,16-19H2,(H2,34,35,38,40)