3-bromanyl-N-(butan-2-ylcarbamothioyl)-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-(butan-2-ylcarbamothioyl)-4-methyl-benzamide Openeye Name: 3-bromo-4-methyl-N-(sec-butylcarbamothioyl)benzamide CAS Name: 3-bromo-N-[(butan-2-ylamino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-(butan-2-ylcarbamothioyl)-4-methylbenzamide Traditional Name: 3-bromo-4-methyl-N-(sec-butylthiocarbamoyl)benzamide Formula: C13H17BrN2OS MolecularWeight: 329.25588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2OS/c1-4-9(3)15-13(18)16-12(17)10-6-5-8(2)11(14)7-10/h5-7,9H,4H2,1-3H3,(H2,15,16,17,18)