5-bromanyl-2-methoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-methoxy-benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-methoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-methoxy-benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O2S/c1-26-18-8-7-16(21)13-17(18)19(25)22-20(27)24-11-9-23(10-12-24)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,25,27)