3-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]-2-oxidanyl-2-(4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide

Systemtic Name: 3-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]-2-oxidanyl-2-(4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide Openeye Name: 2-hydroxy-3-[(2-methyl-3,5-dinitro-benzoyl)amino]-2-(4-phenylbutanoyl)thiazolidine-4-carboxamide CAS Name: 2-hydroxy-3-[[(2-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-2-(1-oxo-4-phenylbutyl)-4-thiazolidinecarboxamide IUPAC Name: 2-hydroxy-3-[(2-methyl-3,5-dinitrobenzoyl)amino]-2-(4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide Traditional Name: 2-hydroxy-3-[(2-methyl-3,5-dinitro-benzoyl)amino]-2-(4-phenylbutanoyl)thiazolidine-4-carboxamide Formula: C22H23N5O8S MolecularWeight: 517.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NN2C(CSC2(C(=O)CCCC3=CC=CC=C3)O)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NN2C(CSC2(C(=O)CCCC3=CC=CC=C3)O)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O8S/c1-13-16(10-15(26(32)33)11-17(13)27(34)35)21(30)24-25-18(20(23)29)12-36-22(25,31)19(28)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-11,18,31H,5,8-9,12H2,1H3,(H2,23,29)(H,24,30)