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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(pyridin-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(p-tolyl)-2-(2-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-(pyridin-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-(2-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=S)NC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=S)NC3=CC=CC=N3

InChI

InChI=1S/C20H19N3O2S2/c1-3-25-19(24)17-15(14-9-7-13(2)8-10-14)12-27-18(17)23-20(26)22-16-6-4-5-11-21-16/h4-12H,3H2,1-2H3,(H2,21,22,23,26)