N-[[(2-methylphenyl)carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[(2-methylphenyl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(2-methylbenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(2-methylbenzoyl)amino]carbamothioyl]octanamide Traditional Name: N-[(o-toluoylamino)thiocarbamoyl]caprylamide Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1C

InChI

InChI=1S/C17H25N3O2S/c1-3-4-5-6-7-12-15(21)18-17(23)20-19-16(22)14-11-9-8-10-13(14)2/h8-11H,3-7,12H2,1-2H3,(H,19,22)(H2,18,20,21,23)