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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3F)C

InChI

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