ethyl 4-(4-fluorophenyl)-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-(3-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-(3-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H16FN3O2S2 MolecularWeight: 401.477643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC3=CN=CC=C3

InChI

InChI=1S/C19H16FN3O2S2/c1-2-25-18(24)16-15(12-5-7-13(20)8-6-12)11-27-17(16)23-19(26)22-14-4-3-9-21-10-14/h3-11H,2H2,1H3,(H2,22,23,26)