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

Systemtic Name: diethyl 5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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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=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S2/c1-7-32-23(30)19-15(4)21(24(31)33-8-2)35-22(19)27-25(34)26-20-16(5)28-29(17(20)6)13-18-11-9-14(3)10-12-18/h9-12H,7-8,13H2,1-6H3,(H2,26,27,34)