3-bromanyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C36H39BrN4O4S2 MolecularWeight: 735.75326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C36H39BrN4O4S2/c1-26(2)19-24-45-33-18-13-29(25-32(33)37)35(42)39-36(46)38-30-14-16-31(17-15-30)47(43,44)41-22-20-40(21-23-41)34(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-18,25-26,34H,19-24H2,1-2H3,(H2,38,39,42,46)