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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

InChI

InChI=1S/C18H20BrN3O2S/c1-12(2)11-24-16-6-5-14(8-15(16)19)17(23)22-18(25)21-10-13-4-3-7-20-9-13/h3-9,12H,10-11H2,1-2H3,(H2,21,22,23,25)