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

Systemtic Name: diethyl 3-methyl-5-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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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)C(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C24H29N3O5S2/c1-4-31-22(29)18-15(3)19(23(30)32-5-2)34-20(18)26-24(33)25-17-11-9-16(10-12-17)21(28)27-13-7-6-8-14-27/h9-12H,4-8,13-14H2,1-3H3,(H2,25,26,33)