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

Systemtic Name: diethyl 3-methyl-5-[(1-propylpiperidin-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(1-propyl-4-piperidyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(1-propyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(1-propylpiperidin-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1-propyl-4-piperidyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H31N3O4S2 MolecularWeight: 441.60784

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCN1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C20H31N3O4S2/c1-5-10-23-11-8-14(9-12-23)21-20(28)22-17-15(18(24)26-6-2)13(4)16(29-17)19(25)27-7-3/h14H,5-12H2,1-4H3,(H2,21,22,28)