methyl 2-[(2-fluorophenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-fluorophenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-fluorophenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-fluorophenyl)methylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-fluorobenzyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17FN2O2S2 MolecularWeight: 352.446783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2F)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2F)C

InChI

InChI=1S/C16H17FN2O2S2/c1-9-10(2)23-14(13(9)15(20)21-3)19-16(22)18-8-11-6-4-5-7-12(11)17/h4-7H,8H2,1-3H3,(H2,18,19,22)