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

Systemtic Name: 3-bromanyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-methyl-benzamide CAS Name: 3-bromo-N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-methylbenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-methyl-benzamide Formula: C33H31BrN4O2S MolecularWeight: 627.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C33H31BrN4O2S/c1-23-16-17-26(22-28(23)34)31(39)36-33(41)35-29-15-9-8-14-27(29)32(40)38-20-18-37(19-21-38)30(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-17,22,30H,18-21H2,1H3,(H2,35,36,39,41)