methyl 5-phenyl-2-[(pyridin-2-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[(pyridin-2-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[(pyridine-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[oxo(2-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[(pyridine-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(picolinamidothiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C19H16N4O3S2/c1-26-18(25)13-11-15(12-7-3-2-4-8-12)28-17(13)21-19(27)23-22-16(24)14-9-5-6-10-20-14/h2-11H,1H3,(H,22,24)(H2,21,23,27)