3-bromanyl-4-(2-methoxyethoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-(2-methoxyethoxy)-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

InChI

InChI=1S/C17H18BrN3O3S/c1-23-7-8-24-15-5-4-13(9-14(15)18)16(22)21-17(25)20-11-12-3-2-6-19-10-12/h2-6,9-10H,7-8,11H2,1H3,(H2,20,21,22,25)