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

Systemtic Name: 2-oxidanylidene-N-[(4-pentylphenyl)carbamothioyl]-1H-pyridine-3-carboxamide Openeye Name: 2-oxo-N-[(4-pentylphenyl)carbamothioyl]-1H-pyridine-3-carboxamide CAS Name: 2-oxo-N-[(4-pentylanilino)-sulfanylidenemethyl]-1H-pyridine-3-carboxamide IUPAC Name: 2-oxo-N-[(4-pentylphenyl)carbamothioyl]-1H-pyridine-3-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-2-keto-1H-pyridine-3-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CNC2=O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CNC2=O

InChI

InChI=1S/C18H21N3O2S/c1-2-3-4-6-13-8-10-14(11-9-13)20-18(24)21-17(23)15-7-5-12-19-16(15)22/h5,7-12H,2-4,6H2,1H3,(H,19,22)(H2,20,21,23,24)