methyl 4-ethyl-5-methyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[1-(o-tolylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[1-[(2-methylphenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[1-(2-methylbenzyl)pyrazol-3-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3C)C

InChI

InChI=1S/C21H24N4O2S2/c1-5-16-14(3)29-19(18(16)20(26)27-4)23-21(28)22-17-10-11-25(24-17)12-15-9-7-6-8-13(15)2/h6-11H,5,12H2,1-4H3,(H2,22,23,24,28)