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

Systemtic Name: diethyl 5-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-[(3,5-dimethyl-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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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)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)CN3C(=CC(=N3)C)C

InChI

InChI=1S/C24H28N4O4S2/c1-6-31-22(29)19-16(5)20(23(30)32-7-2)34-21(19)26-24(33)25-18-10-8-9-17(12-18)13-28-15(4)11-14(3)27-28/h8-12H,6-7,13H2,1-5H3,(H2,25,26,33)