5-bromanyl-2-propan-2-yloxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 5-bromanyl-2-propan-2-yloxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 5-bromo-2-isopropoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 5-bromo-2-propan-2-yloxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-propan-2-yloxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 5-bromo-2-isopropoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CN=CC=C2

InChI

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