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

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-4-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=C(C=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=C(C=C5)OCCC6=CC=CC=C6

InChI

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