methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-fluorobenzyl)pyrazol-4-yl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19FN4O2S2 MolecularWeight: 418.508163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H19FN4O2S2/c1-11-12(2)28-17(16(11)18(25)26-3)23-19(27)22-15-8-21-24(10-15)9-13-4-6-14(20)7-5-13/h4-8,10H,9H2,1-3H3,(H2,22,23,27)