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

Systemtic Name: 3-bromanyl-N-(butylcarbamothioyl)-4-methyl-benzamide Openeye Name: 3-bromo-N-(butylcarbamothioyl)-4-methyl-benzamide CAS Name: 3-bromo-N-[butylamino(sulfanylidene)methyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-(butylcarbamothioyl)-4-methylbenzamide Traditional Name: 3-bromo-N-(butylthiocarbamoyl)-4-methyl-benzamide Formula: C13H17BrN2OS MolecularWeight: 329.25588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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