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

Systemtic Name: 5-bromanyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C39H37BrN4O4S2 MolecularWeight: 769.76948

Click to see the large picture

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

InChI

InChI=1S/C39H37BrN4O4S2/c40-32-16-21-36(48-27-22-29-10-4-1-5-11-29)35(28-32)38(45)42-39(49)41-33-17-19-34(20-18-33)50(46,47)44-25-23-43(24-26-44)37(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-21,28,37H,22-27H2,(H2,41,42,45,49)