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

Systemtic Name: 4-hexoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-hexoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-hexoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-hexoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C20H25N3O2S/c1-2-3-4-5-13-25-18-10-8-17(9-11-18)19(24)23-20(26)22-15-16-7-6-12-21-14-16/h6-12,14H,2-5,13,15H2,1H3,(H2,22,23,24,26)