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

Systemtic Name: ethyl 2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-fluoro-4-methylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H19FN2O2S2 MolecularWeight: 366.473363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC(=C(C=C2)C)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC(=C(C=C2)C)F

InChI

InChI=1S/C17H19FN2O2S2/c1-5-22-16(21)14-10(3)11(4)24-15(14)20-17(23)19-12-7-6-9(2)13(18)8-12/h6-8H,5H2,1-4H3,(H2,19,20,23)