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

Systemtic Name: diethyl 3-methyl-5-[(1-methylpiperidin-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(1-methyl-4-piperidyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(1-methylpiperidin-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1-methyl-4-piperidyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCN(CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCN(CC2)C

InChI

InChI=1S/C18H27N3O4S2/c1-5-24-16(22)13-11(3)14(17(23)25-6-2)27-15(13)20-18(26)19-12-7-9-21(4)10-8-12/h12H,5-10H2,1-4H3,(H2,19,20,26)