N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]octanamide CAS Name: N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]octanamide Traditional Name: N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]caprylamide Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3S/c1-3-5-6-7-8-9-17(25)21-19(27)23-22-18(26)14-10-12-15(13-11-14)20-16(24)4-2/h10-13H,3-9H2,1-2H3,(H,20,24)(H,22,26)(H2,21,23,25,27)