5-bromanyl-N-[(hexanoylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(hexanoylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[(caproylamino)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C19H28BrN3O3S MolecularWeight: 458.41292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC(C)C

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC(C)C

InChI

InChI=1S/C19H28BrN3O3S/c1-4-5-6-7-17(24)22-23-19(27)21-18(25)15-12-14(20)8-9-16(15)26-11-10-13(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,22,24)(H2,21,23,25,27)