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

Systemtic Name: dimethyl 2-[(4-ethylpiperazin-1-yl)carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-ethylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-ethylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-ethylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H23N3O4S/c1-4-19-7-9-20(10-8-19)17(25)18-14-11-12(15(21)23-2)5-6-13(14)16(22)24-3/h5-6,11H,4,7-10H2,1-3H3,(H,18,25)