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

Systemtic Name: 3-bromanyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C33H31BrN4O3S MolecularWeight: 643.59324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C33H31BrN4O3S/c1-41-29-17-16-25(22-27(29)34)31(39)36-33(42)35-28-15-9-8-14-26(28)32(40)38-20-18-37(19-21-38)30(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-17,22,30H,18-21H2,1H3,(H2,35,36,39,42)