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

Systemtic Name: 5-bromanyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C40H37BrN4O3S MolecularWeight: 733.71578

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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=C(C=CC(=C5)Br)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=C(C=CC(=C5)Br)OCCC6=CC=CC=C6

InChI

InChI=1S/C40H37BrN4O3S/c41-32-20-21-36(48-27-22-29-12-4-1-5-13-29)34(28-32)38(46)43-40(49)42-35-19-11-10-18-33(35)39(47)45-25-23-44(24-26-45)37(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-21,28,37H,22-27H2,(H2,42,43,46,49)