3-[(2-methylphenyl)carbonylamino]-2,3-bis(oxidanyl)-N-(4-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide

Systemtic Name: 3-[(2-methylphenyl)carbonylamino]-2,3-bis(oxidanyl)-N-(4-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide Openeye Name: 2,3-dihydroxy-3-[(2-methylbenzoyl)amino]-N-(4-phenylbutanoyl)thiazolidin-3-ium-4-carboxamide CAS Name: 2,3-dihydroxy-3-[[(2-methylphenyl)-oxomethyl]amino]-N-(1-oxo-4-phenylbutyl)-4-thiazolidin-3-iumcarboxamide IUPAC Name: 2,3-dihydroxy-3-[(2-methylbenzoyl)amino]-N-(4-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide Traditional Name: 2,3-dihydroxy-3-(o-toluoylamino)-N-(4-phenylbutanoyl)thiazolidin-3-ium-4-carboxamide Formula: C22H26N3O5S+ MolecularWeight: 444.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N[N+]2(C(CSC2O)C(=O)NC(=O)CCCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[N+]2(C(CSC2O)C(=O)NC(=O)CCCC3=CC=CC=C3)O

InChI

InChI=1S/C22H25N3O5S/c1-15-8-5-6-12-17(15)20(27)24-25(30)18(14-31-22(25)29)21(28)23-19(26)13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,18,22,29-30H,7,11,13-14H2,1H3,(H-,23,24,26,27,28)/p+1