methyl 5-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-fluoro-4-methylphenyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C15H15FN2O2S2 MolecularWeight: 338.420203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC(=C(S2)C(=O)OC)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC(=C(S2)C(=O)OC)C)F

InChI

InChI=1S/C15H15FN2O2S2/c1-8-4-5-10(7-11(8)16)17-15(21)18-12-6-9(2)13(22-12)14(19)20-3/h4-7H,1-3H3,(H2,17,18,21)