N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C23H29N3O3S/c1-2-3-4-5-9-12-21(27)24-23(30)26-25-22(28)17-29-20-15-13-19(14-16-20)18-10-7-6-8-11-18/h6-8,10-11,13-16H,2-5,9,12,17H2,1H3,(H,25,28)(H2,24,26,27,30)