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

Systemtic Name: N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(4-chlorobenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(4-chlorobenzoyl)amino]carbamothioyl]octanamide Traditional Name: N-[[(4-chlorobenzoyl)amino]thiocarbamoyl]caprylamide Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2S/c1-2-3-4-5-6-7-14(21)18-16(23)20-19-15(22)12-8-10-13(17)11-9-12/h8-11H,2-7H2,1H3,(H,19,22)(H2,18,20,21,23)