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

Systemtic Name: methyl 5-ethyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[1-(o-tolylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[1-(2-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C)C(=O)OC

InChI

InChI=1S/C20H22N4O2S2/c1-4-16-9-17(19(25)26-3)18(28-16)23-20(27)22-15-10-21-24(12-15)11-14-8-6-5-7-13(14)2/h5-10,12H,4,11H2,1-3H3,(H2,22,23,27)