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

Systemtic Name: 5-bromanyl-N-[(hexanoylamino)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-2-hexoxy-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(caproylamino)thiocarbamoyl]-2-hexoxy-benzamide Formula: C20H30BrN3O3S MolecularWeight: 472.4395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCCCC

InChI

InChI=1S/C20H30BrN3O3S/c1-3-5-7-9-13-27-17-12-11-15(21)14-16(17)19(26)22-20(28)24-23-18(25)10-8-6-4-2/h11-12,14H,3-10,13H2,1-2H3,(H,23,25)(H2,22,24,26,28)