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

Systemtic Name: 4-cyano-4-[[2-isocyano-5-oxidanylidene-5-[[4-(trioxidanylsulfanyl)phenyl]amino]pentan-2-yl]diazenyl]-N-propyl-pentanamide Openeye Name: 4-cyano-4-[1-isocyano-1-methyl-4-oxo-4-[4-(trioxidanylsulfanyl)anilino]butyl]azo-N-propyl-pentanamide CAS Name: 4-[[4-[2-cyano-5-oxo-5-(propylamino)pentan-2-yl]azo-4-isocyano-1-oxopentyl]amino]benzenesulfenic acid hydroperoxy ester IUPAC Name: 4-cyano-4-[[2-isocyano-5-oxo-5-[4-(trioxidanylsulfanyl)anilino]pentan-2-yl]diazenyl]-N-propylpentanamide Traditional Name: 4-cyano-4-[1-isocyano-4-keto-1-methyl-4-[4-(trioxidanylthio)anilino]butyl]azo-N-propyl-valeramide Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)NC1=CC=C(C=C1)SOOO)[N+]#[C-]

Isomeric SMILES

CCCNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)NC1=CC=C(C=C1)SOOO)[N+]#[C-]

InChI

InChI=1S/C21H28N6O5S/c1-5-14-24-18(28)10-12-20(2,15-22)26-27-21(3,23-4)13-11-19(29)25-16-6-8-17(9-7-16)33-32-31-30/h6-9,30H,5,10-14H2,1-3H3,(H,24,28)(H,25,29)