N-[[(4-methylphenyl)carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[(4-methylphenyl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]octanamide Traditional Name: N-[(p-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=C(C=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-3-4-5-6-7-8-15(21)18-17(23)20-19-16(22)14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3,(H,19,22)(H2,18,20,21,23)