diethyl 3-methyl-5-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(1-piperidylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(piperidinomethyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C24H31N3O4S2/c1-4-30-22(28)19-16(3)20(23(29)31-5-2)33-21(19)26-24(32)25-18-11-9-17(10-12-18)15-27-13-7-6-8-14-27/h9-12H,4-8,13-15H2,1-3H3,(H2,25,26,32)