2-oxidanylidene-N-[(4-pentoxyphenyl)carbamothioyl]-1H-pyridine-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[(4-pentoxyphenyl)carbamothioyl]-1H-pyridine-3-carboxamide Openeye Name: 2-oxo-N-[(4-pentoxyphenyl)carbamothioyl]-1H-pyridine-3-carboxamide CAS Name: 2-oxo-N-[(4-pentoxyanilino)-sulfanylidenemethyl]-1H-pyridine-3-carboxamide IUPAC Name: 2-oxo-N-[(4-pentoxyphenyl)carbamothioyl]-1H-pyridine-3-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-2-keto-1H-pyridine-3-carboxamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CNC2=O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CNC2=O

InChI

InChI=1S/C18H21N3O3S/c1-2-3-4-12-24-14-9-7-13(8-10-14)20-18(25)21-17(23)15-6-5-11-19-16(15)22/h5-11H,2-4,12H2,1H3,(H,19,22)(H2,20,21,23,25)