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

Systemtic Name: 3-bromanyl-4-hexoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C20H24BrN3O2S MolecularWeight: 450.39246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O2S/c1-2-3-4-5-11-26-18-9-8-16(12-17(18)21)19(25)24-20(27)23-14-15-7-6-10-22-13-15/h6-10,12-13H,2-5,11,14H2,1H3,(H2,23,24,25,27)