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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]octanamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]caprylamide Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S/c1-3-5-7-8-9-11-19(27)23-21(29)25-24-20(28)16-12-14-17(15-13-16)22-18(26)10-6-4-2/h12-15H,3-11H2,1-2H3,(H,22,26)(H,24,28)(H2,23,25,27,29)