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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCCCOC1=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/c1-2-3-20-35-26-15-14-24(21-25(26)30)28(34)31-29(36)33-18-16-32(17-19-33)27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,21,27H,2-3,16-20H2,1H3,(H,31,34,36)