dimethyl 5-[(4-ethoxycarbonylpiperazin-1-yl)carbothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-ethoxycarbonylpiperazin-1-yl)carbothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-ethoxycarbonylpiperazine-1-carbothioyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-ethoxycarbonyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-ethoxycarbonylpiperazine-1-carbothioyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-carbethoxypiperazine-1-carbothioyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H23N3O6S/c1-4-27-18(24)21-7-5-20(6-8-21)17(28)19-14-10-12(15(22)25-2)9-13(11-14)16(23)26-3/h9-11H,4-8H2,1-3H3,(H,19,28)