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

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C39H38N4O4S2 MolecularWeight: 690.87342

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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(=CC=C5)OCCC6=CC=CC=C6

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)OCCC6=CC=CC=C6

InChI

InChI=1S/C39H38N4O4S2/c44-38(33-17-10-18-35(29-33)47-28-23-30-11-4-1-5-12-30)41-39(48)40-34-19-21-36(22-20-34)49(45,46)43-26-24-42(25-27-43)37(31-13-6-2-7-14-31)32-15-8-3-9-16-32/h1-22,29,37H,23-28H2,(H2,40,41,44,48)