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

Systemtic Name: 3-chloranyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-chloro-benzamide CAS Name: 3-chloro-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-chlorobenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-chloro-benzamide Formula: C31H29ClN4O3S2 MolecularWeight: 605.16996

Click to see the large picture

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(=CC=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(=CC=C5)Cl

InChI

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