4-chloranyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]carbamothioyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[[2-[4-(diphenylmethyl)-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]carbamothioyl]-4-chlorobenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazino)-5-(piperazine-1-carbonyl)phenyl]thiocarbamoyl]-4-chloro-benzamide Formula: C36H37ClN6O2S MolecularWeight: 653.23598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)NC(=S)NC(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)NC(=S)NC(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C36H37ClN6O2S/c37-30-14-11-28(12-15-30)34(44)40-36(46)39-31-25-29(35(45)43-19-17-38-18-20-43)13-16-32(31)41-21-23-42(24-22-41)33(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-16,25,33,38H,17-24H2,(H2,39,40,44,46)