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

Systemtic Name: 3-azanyl-3-[(2-methylphenyl)carbonylamino]-2-oxidanyl-N-(4-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide Openeye Name: 3-amino-2-hydroxy-3-[(2-methylbenzoyl)amino]-N-(4-phenylbutanoyl)thiazolidin-3-ium-4-carboxamide CAS Name: 3-amino-2-hydroxy-3-[[(2-methylphenyl)-oxomethyl]amino]-N-(1-oxo-4-phenylbutyl)-4-thiazolidin-3-iumcarboxamide IUPAC Name: 3-amino-2-hydroxy-3-[(2-methylbenzoyl)amino]-N-(4-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide Traditional Name: 3-amino-2-hydroxy-3-(o-toluoylamino)-N-(4-phenylbutanoyl)thiazolidin-3-ium-4-carboxamide Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-15-8-5-6-12-17(15)20(28)25-26(23)18(14-31-22(26)30)21(29)24-19(27)13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,18,22,30H,7,11,13-14,23H2,1H3,(H-,24,25,27,28,29)/p+1