4-chloranyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-chlorobenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-4-chloro-benzamide Formula: C31H29ClN4O3S2 MolecularWeight: 605.16996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H29ClN4O3S2/c32-26-13-11-25(12-14-26)30(37)34-31(40)33-27-15-17-28(18-16-27)41(38,39)36-21-19-35(20-22-36)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,29H,19-22H2,(H2,33,34,37,40)