4-cyano-4-[[2-isocyano-5-oxidanylidene-5-[2-(trioxidanylsulfanyl)ethylamino]pentan-2-yl]diazenyl]-N-propyl-pentanamide

Systemtic Name: 4-cyano-4-[[2-isocyano-5-oxidanylidene-5-[2-(trioxidanylsulfanyl)ethylamino]pentan-2-yl]diazenyl]-N-propyl-pentanamide Openeye Name: 4-cyano-4-[1-isocyano-1-methyl-4-oxo-4-[2-(trioxidanylsulfanyl)ethylamino]butyl]azo-N-propyl-pentanamide CAS Name: 2-[[4-[2-cyano-5-oxo-5-(propylamino)pentan-2-yl]azo-4-isocyano-1-oxopentyl]amino]ethanesulfenic acid hydroperoxy ester IUPAC Name: 4-cyano-4-[[2-isocyano-5-oxo-5-[2-(trioxidanylsulfanyl)ethylamino]pentan-2-yl]diazenyl]-N-propylpentanamide Traditional Name: 4-cyano-4-[1-isocyano-4-keto-1-methyl-4-[2-(trioxidanylthio)ethylamino]butyl]azo-N-propyl-valeramide Formula: C17H28N6O5S MolecularWeight: 428.50642

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)NCCSOOO)[N+]#[C-]

Isomeric SMILES

CCCNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)NCCSOOO)[N+]#[C-]

InChI

InChI=1S/C17H28N6O5S/c1-5-10-20-14(24)6-8-16(2,13-18)22-23-17(3,19-4)9-7-15(25)21-11-12-29-28-27-26/h26H,5-12H2,1-3H3,(H,20,24)(H,21,25)