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

Systemtic Name: 3-bromanyl-4-butoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-butoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-butoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-butoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O2S/c1-2-3-9-24-16-7-6-14(10-15(16)19)17(23)22-18(25)21-12-13-5-4-8-20-11-13/h4-8,10-11H,2-3,9,12H2,1H3,(H2,21,22,23,25)