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

Systemtic Name: diethyl 5-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)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=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

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