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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[2-(4-fluorophenyl)ethylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26FN3O3S2 MolecularWeight: 451.577843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCC2=CC=C(C=C2)F)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCC2=CC=C(C=C2)F)C(=O)OC)C

InChI

InChI=1S/C21H26FN3O3S2/c1-5-25(6-2)19(26)17-13(3)16(20(27)28-4)18(30-17)24-21(29)23-12-11-14-7-9-15(22)10-8-14/h7-10H,5-6,11-12H2,1-4H3,(H2,23,24,29)