ethyl 5-phenyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(3-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(3-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S2/c1-2-24-18(23)15-11-16(13-7-4-3-5-8-13)26-17(15)22-19(25)21-14-9-6-10-20-12-14/h3-12H,2H2,1H3,(H2,21,22,25)