3-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-(2-methylpropoxy)benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-(2-methylpropoxy)benzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-isobutoxy-benzamide Formula: C29H32BrN3O2S MolecularWeight: 566.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C29H32BrN3O2S/c1-21(2)20-35-26-14-13-24(19-25(26)30)28(34)31-29(36)33-17-15-32(16-18-33)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,21,27H,15-18,20H2,1-2H3,(H,31,34,36)