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

Systemtic Name: dimethyl 2-[(4-aminocarbonylpiperidin-1-yl)carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-carbamoyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(=O)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H21N3O5S/c1-24-15(22)11-3-4-12(16(23)25-2)13(9-11)19-17(26)20-7-5-10(6-8-20)14(18)21/h3-4,9-10H,5-8H2,1-2H3,(H2,18,21)(H,19,26)