ethyl 5-methyl-4-phenyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(4-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(4-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=CC=C2)C)NC(=S)NC3=CC=NC=C3

Isomeric SMILES

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

InChI

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