methyl 2-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)carbamothioylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[[(4-chloro-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)thiocarbamoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C20H19ClN4O3S2 MolecularWeight: 462.97286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=C(C(=NN3C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=C(C(=NN3C)C)Cl

InChI

InChI=1S/C20H19ClN4O3S2/c1-10-5-7-12(8-6-10)13-9-30-18(14(13)19(27)28-4)23-20(29)22-17(26)16-15(21)11(2)24-25(16)3/h5-9H,1-4H3,(H2,22,23,26,29)