3-bromanyl-N-[(hexanoylamino)carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(hexanoylamino)carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[(caproylamino)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C17H24BrN3O3S MolecularWeight: 430.35976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O3S/c1-4-5-6-7-15(22)20-21-17(25)19-16(23)12-8-9-14(13(18)10-12)24-11(2)3/h8-11H,4-7H2,1-3H3,(H,20,22)(H2,19,21,23,25)