4-pentyl-N-(pyridin-3-ylcarbamothioyl)benzamide

Systemtic Name: 4-pentyl-N-(pyridin-3-ylcarbamothioyl)benzamide Openeye Name: 4-pentyl-N-(3-pyridylcarbamothioyl)benzamide CAS Name: 4-pentyl-N-[(3-pyridinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-pentyl-N-(pyridin-3-ylcarbamothioyl)benzamide Traditional Name: 4-amyl-N-(3-pyridylthiocarbamoyl)benzamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C18H21N3OS/c1-2-3-4-6-14-8-10-15(11-9-14)17(22)21-18(23)20-16-7-5-12-19-13-16/h5,7-13H,2-4,6H2,1H3,(H2,20,21,22,23)