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

Systemtic Name: 5-bromanyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-propan-2-yloxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-5-bromo-2-isopropoxy-benzamide Formula: C35H35BrN4O3S MolecularWeight: 671.6464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H35BrN4O3S/c1-24(2)43-31-18-17-27(36)23-29(31)33(41)38-35(44)37-30-16-10-9-15-28(30)34(42)40-21-19-39(20-22-40)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-18,23-24,32H,19-22H2,1-2H3,(H2,37,38,41,44)