N-[[(3-methylphenyl)carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[(3-methylphenyl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]octanamide Traditional Name: N-[(m-toluoylamino)thiocarbamoyl]caprylamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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