N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C40H38N4O4S MolecularWeight: 670.81912

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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=C5)OCCOC6=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=C5)OCCOC6=CC=CC=C6

InChI

InChI=1S/C40H38N4O4S/c45-38(32-17-12-20-34(29-32)48-28-27-47-33-18-8-3-9-19-33)42-40(49)41-36-22-11-10-21-35(36)39(46)44-25-23-43(24-26-44)37(30-13-4-1-5-14-30)31-15-6-2-7-16-31/h1-22,29,37H,23-28H2,(H2,41,42,45,49)