3-bromanyl-N-(heptylcarbamothioyl)-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-(heptylcarbamothioyl)-4-methyl-benzamide Openeye Name: 3-bromo-N-(heptylcarbamothioyl)-4-methyl-benzamide CAS Name: 3-bromo-N-[(heptylamino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-(heptylcarbamothioyl)-4-methylbenzamide Traditional Name: 3-bromo-N-(heptylthiocarbamoyl)-4-methyl-benzamide Formula: C16H23BrN2OS MolecularWeight: 371.33562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2OS/c1-3-4-5-6-7-10-18-16(21)19-15(20)13-9-8-12(2)14(17)11-13/h8-9,11H,3-7,10H2,1-2H3,(H2,18,19,20,21)