dimethyl 2-[(3-methylpiperidin-1-yl)carbothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3-methylpiperidin-1-yl)carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3-methylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(3-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-methylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-methylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1CCCN(C1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H22N2O4S/c1-11-5-4-8-19(10-11)17(24)18-14-9-12(15(20)22-2)6-7-13(14)16(21)23-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,24)