methyl 4,5-dimethoxy-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-27-19-13-17(21(26)29-3)18(14-20(19)28-2)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,23,30)