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

Systemtic Name: methyl 5-phenyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(4-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(4-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S2/c1-23-17(22)14-11-15(12-5-3-2-4-6-12)25-16(14)21-18(24)20-13-7-9-19-10-8-13/h2-11H,1H3,(H2,19,20,21,24)