N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C23H28BrN3O4S/c1-3-4-5-8-13-30-20-10-7-6-9-18(20)22(29)25-23(32)27-26-21(28)15-31-17-11-12-19(24)16(2)14-17/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3,(H,26,28)(H2,25,27,29,32)