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

Systemtic Name: 3-bromanyl-4-propoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-propoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-propoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-propoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-propoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

InChI

InChI=1S/C17H18BrN3O2S/c1-2-8-23-15-6-5-13(9-14(15)18)16(22)21-17(24)20-11-12-4-3-7-19-10-12/h3-7,9-10H,2,8,11H2,1H3,(H2,20,21,22,24)