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

Systemtic Name: diethyl 3-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-(1-pyrazolylmethyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]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)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)CN3C=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)24-16-9-6-8-15(12-16)13-26-11-7-10-23-26/h6-12H,4-5,13H2,1-3H3,(H2,24,25,31)