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

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-4-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=C(C=C5)OCCC6=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=C(C=C5)OCCC6=CC=CC=C6

InChI

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