methyl 4-(phenylcarbamothioylamino)pyridine-2-carboxylate

Systemtic Name: methyl 4-(phenylcarbamothioylamino)pyridine-2-carboxylate Openeye Name: methyl 4-(phenylcarbamothioylamino)pyridine-2-carboxylate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(phenylcarbamothioylamino)pyridine-2-carboxylate Traditional Name: 4-(phenylthiocarbamoylamino)picolinic acid methyl ester Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=CC(=C1)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NC=CC(=C1)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C14H13N3O2S/c1-19-13(18)12-9-11(7-8-15-12)17-14(20)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,15,16,17,20)