methyl 5-(diethylcarbamoyl)-2-[(2-fluorophenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(2-fluorophenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(2-fluorophenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(2-fluorophenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(2-fluorophenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22FN3O3S2 MolecularWeight: 423.524683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2F)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2F)C(=O)OC)C

InChI

InChI=1S/C19H22FN3O3S2/c1-5-23(6-2)17(24)15-11(3)14(18(25)26-4)16(28-15)22-19(27)21-13-10-8-7-9-12(13)20/h7-10H,5-6H2,1-4H3,(H2,21,22,27)