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

Systemtic Name: N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(4-phenylbenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(4-phenylbenzoyl)amino]carbamothioyl]octanamide Traditional Name: N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]caprylamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-2-3-4-5-9-12-20(26)23-22(28)25-24-21(27)19-15-13-18(14-16-19)17-10-7-6-8-11-17/h6-8,10-11,13-16H,2-5,9,12H2,1H3,(H,24,27)(H2,23,25,26,28)