2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(2-chloro-4-nitro-benzoyl)-isobutyl-amino]methyl]-N-isobutyl-thiazole-4-carboxamide CAS Name: 2-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-4-thiazolecarboxamide IUPAC Name: 2-[[(2-chloro-4-nitrobenzoyl)-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(2-chloro-4-nitro-benzoyl)-isobutyl-amino]methyl]-N-isobutyl-thiazole-4-carboxamide Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CSC(=N1)CN(CC(C)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CNC(=O)C1=CSC(=N1)CN(CC(C)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H25ClN4O4S/c1-12(2)8-22-19(26)17-11-30-18(23-17)10-24(9-13(3)4)20(27)15-6-5-14(25(28)29)7-16(15)21/h5-7,11-13H,8-10H2,1-4H3,(H,22,26)