N-[(2,2-diphenylethanoylamino)carbamothioyl]octanamide

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]octanamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]octanamide CAS Name: N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]octanamide Traditional Name: N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]caprylamide Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-2-3-4-5-12-17-20(27)24-23(29)26-25-22(28)21(18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-16,21H,2-5,12,17H2,1H3,(H,25,28)(H2,24,26,27,29)