diethyl 3-methyl-5-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[4-(1-pyrazolyl)phenyl]methylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-pyrazol-1-ylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-pyrazol-1-ylbenzyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H24N4O4S2/c1-4-29-20(27)17-14(3)18(21(28)30-5-2)32-19(17)25-22(31)23-13-15-7-9-16(10-8-15)26-12-6-11-24-26/h6-12H,4-5,13H2,1-3H3,(H2,23,25,31)