diethyl 3-methyl-5-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methylpiperazin-1-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methylpiperazino)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NN2CCN(CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NN2CCN(CC2)C

InChI

InChI=1S/C17H26N4O4S2/c1-5-24-15(22)12-11(3)13(16(23)25-6-2)27-14(12)18-17(26)19-21-9-7-20(4)8-10-21/h5-10H2,1-4H3,(H2,18,19,26)