2-[3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentyl]sulfanylbenzoate

Systemtic Name: 2-[3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentyl]sulfanylbenzoate Openeye Name: 2-[3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentyl]sulfanylbenzoate CAS Name: 2-[[3-[[2-[[[3-(hydrazinylmethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-hydroxy-5-oxopentyl]thio]benzoate IUPAC Name: 2-[3-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-5-hydroxy-5-oxopentyl]sulfanylbenzoate Traditional Name: 2-[[3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentyl]thio]benzoate Formula: C22H24N5O6S- MolecularWeight: 486.52086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCCC(CC(=O)O)NC(=O)CNC(=O)C2=CC(=CC=C2)N=CNN

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCCC(CC(=O)O)NC(=O)CNC(=O)C2=CC(=CC=C2)N=CNN

InChI

InChI=1S/C22H25N5O6S/c23-26-13-25-15-5-3-4-14(10-15)21(31)24-12-19(28)27-16(11-20(29)30)8-9-34-18-7-2-1-6-17(18)22(32)33/h1-7,10,13,16H,8-9,11-12,23H2,(H,24,31)(H,25,26)(H,27,28)(H,29,30)(H,32,33)/p-1