2-(4-bromanyl-3-methyl-phenoxy)-N-(heptylcarbamothioyl)ethanamide

Systemtic Name: 2-(4-bromanyl-3-methyl-phenoxy)-N-(heptylcarbamothioyl)ethanamide Openeye Name: 2-(4-bromo-3-methyl-phenoxy)-N-(heptylcarbamothioyl)acetamide CAS Name: 2-(4-bromo-3-methylphenoxy)-N-[(heptylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-3-methylphenoxy)-N-(heptylcarbamothioyl)acetamide Traditional Name: 2-(4-bromo-3-methyl-phenoxy)-N-(heptylthiocarbamoyl)acetamide Formula: C17H25BrN2O2S MolecularWeight: 401.3616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)COC1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)COC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C17H25BrN2O2S/c1-3-4-5-6-7-10-19-17(23)20-16(21)12-22-14-8-9-15(18)13(2)11-14/h8-9,11H,3-7,10,12H2,1-2H3,(H2,19,20,21,23)