5-bromanyl-N-(butylcarbamothioyl)-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-(butylcarbamothioyl)-2-methoxy-benzamide Openeye Name: 5-bromo-N-(butylcarbamothioyl)-2-methoxy-benzamide CAS Name: 5-bromo-N-[butylamino(sulfanylidene)methyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-(butylcarbamothioyl)-2-methoxybenzamide Traditional Name: 5-bromo-N-(butylthiocarbamoyl)-2-methoxy-benzamide Formula: C13H17BrN2O2S MolecularWeight: 345.25528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O2S/c1-3-4-7-15-13(19)16-12(17)10-8-9(14)5-6-11(10)18-2/h5-6,8H,3-4,7H2,1-2H3,(H2,15,16,17,19)