4-[2-(2-benzamidoethanoylamino)-3-methoxy-3-oxidanylidene-propyl]sulfanyl-N1,N3-bis(oxidanyl)benzene-1,3-diamine oxide

Systemtic Name: 4-[2-(2-benzamidoethanoylamino)-3-methoxy-3-oxidanylidene-propyl]sulfanyl-N1,N3-bis(oxidanyl)benzene-1,3-diamine oxide Openeye Name: 4-[2-[(2-benzamidoacetyl)amino]-3-methoxy-3-oxo-propyl]sulfanyl-N1,N3-dihydroxy-benzene-1,3-diamine oxide CAS Name: 4-[[2-[(2-benzamido-1-oxoethyl)amino]-3-methoxy-3-oxopropyl]thio]-N1,N3-dihydroxybenzene-1,3-diamine oxide IUPAC Name: 4-[2-[(2-benzamidoacetyl)amino]-3-methoxy-3-oxopropyl]sulfanyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide Traditional Name: 4-[[2-(hippuroylamino)-3-keto-3-methoxy-propyl]thio]-N,N'-dihydroxy-benzene-1,3-diamine oxide Formula: C19H22N4O8S MolecularWeight: 466.46498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC1=C(C=C(C=C1)[NH+](O)[O-])[NH+](O)[O-])NC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CSC1=C(C=C(C=C1)[NH+](O)[O-])[NH+](O)[O-])NC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H22N4O8S/c1-31-19(26)14(21-17(24)10-20-18(25)12-5-3-2-4-6-12)11-32-16-8-7-13(22(27)28)9-15(16)23(29)30/h2-9,14,22-23,27,29H,10-11H2,1H3,(H,20,25)(H,21,24)