dimethyl 2-[(4-methylpiperazin-1-yl)carbothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-methylpiperazin-1-yl)carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H21N3O4S/c1-18-6-8-19(9-7-18)16(24)17-13-10-11(14(20)22-2)4-5-12(13)15(21)23-3/h4-5,10H,6-9H2,1-3H3,(H,17,24)