copper (2S)-2-[[5-[bis(azanyl)methylideneamino]-2-oxidanidyl-phenyl]methylideneamino]-4-methylsulfanyl-butanoate

Systemtic Name: copper (2S)-2-[[5-[bis(azanyl)methylideneamino]-2-oxidanidyl-phenyl]methylideneamino]-4-methylsulfanyl-butanoate Openeye Name: copper (2S)-2-[(5-guanidino-2-oxido-phenyl)methyleneamino]-4-methylsulfanyl-butanoate CAS Name: copper (2S)-2-[[5-(diaminomethylideneamino)-2-oxidophenyl]methylideneamino]-4-(methylthio)butanoate IUPAC Name: copper (2S)-2-[[5-(diaminomethylideneamino)-2-oxidophenyl]methylideneamino]-4-methylsulfanylbutanoate Traditional Name: cupric (2S)-2-[(5-guanidino-2-oxido-benzylidene)amino]-4-(methylthio)butyrate Formula: C13H16CuN4O3S MolecularWeight: 371.90214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])N=CC1=C(C=CC(=C1)N=C(N)N)[O-].[Cu+2]

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])N=CC1=C(C=CC(=C1)N=C(N)N)[O-].[Cu+2]

InChI

InChI=1S/C13H18N4O3S.Cu/c1-21-5-4-10(12(19)20)16-7-8-6-9(17-13(14)15)2-3-11(8)18;/h2-3,6-7,10,18H,4-5H2,1H3,(H,19,20)(H4,14,15,17);/q;+2/p-2/t10-;/m0./s1