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

Systemtic Name: diethyl 5-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H25ClN4O4S2 MolecularWeight: 521.052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C(=C2)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C(=C2)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClN4O4S2/c1-5-31-21(29)18-14(4)19(22(30)32-6-2)34-20(18)26-23(33)25-17-11-13(3)28(27-17)12-15-7-9-16(24)10-8-15/h7-11H,5-6,12H2,1-4H3,(H2,25,26,27,33)