4-butoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 4-butoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-butoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-butoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-butoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C18H21N3O2S/c1-2-3-11-23-16-8-6-15(7-9-16)17(22)21-18(24)20-13-14-5-4-10-19-12-14/h4-10,12H,2-3,11,13H2,1H3,(H2,20,21,22,24)