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

Systemtic Name: methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-fluorobenzyl)pyrazol-4-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17FN4O2S2 MolecularWeight: 404.481583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C18H17FN4O2S2/c1-11-7-15(17(24)25-2)16(27-11)22-18(26)21-14-8-20-23(10-14)9-12-3-5-13(19)6-4-12/h3-8,10H,9H2,1-2H3,(H2,21,22,26)