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

Systemtic Name: 3-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-ethoxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-ethoxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-ethoxy-benzamide Formula: C27H28BrN3O2S MolecularWeight: 538.49912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C27H28BrN3O2S/c1-2-33-24-14-13-22(19-23(24)28)26(32)29-27(34)31-17-15-30(16-18-31)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,2,15-18H2,1H3,(H,29,32,34)