diethyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H25N5O4S2/c1-4-28-17(26)14-13(3)15(18(27)29-5-2)31-16(14)23-20(30)25-11-9-24(10-12-25)19-21-7-6-8-22-19/h6-8H,4-5,9-12H2,1-3H3,(H,23,30)