3,4,5-trimethoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3,4,5-trimethoxy-benzamide CAS Name: 3,4,5-trimethoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3,4,5-trimethoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3,4,5-trimethoxy-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-27-18-13-17(14-19(28-2)20(18)29-3)21(26)23-22(30)25-11-9-24(10-12-25)15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,26,30)