2-hexoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 2-hexoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 2-hexoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 2-hexoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 2-hexoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C20H25N3O2S/c1-2-3-4-7-13-25-18-11-6-5-10-17(18)19(24)23-20(26)22-15-16-9-8-12-21-14-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3,(H2,22,23,24,26)