N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C40H38N4O3S MolecularWeight: 654.81972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=CC=CC=C5OCCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=CC=CC=C5OCCC6=CC=CC=C6

InChI

InChI=1S/C40H38N4O3S/c45-38(34-21-11-13-23-36(34)47-29-24-30-14-4-1-5-15-30)42-40(48)41-35-22-12-10-20-33(35)39(46)44-27-25-43(26-28-44)37(31-16-6-2-7-17-31)32-18-8-3-9-19-32/h1-23,37H,24-29H2,(H2,41,42,45,48)