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

Systemtic Name: 2-[[(4-methyl-3-nitro-phenyl)carbonyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Openeye Name: N-isobutyl-2-[[isobutyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxamide CAS Name: 2-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-4-thiazolecarboxamide IUPAC Name: 2-[[(4-methyl-3-nitrobenzoyl)-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Traditional Name: N-isobutyl-2-[[isobutyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)NCC(C)C)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)NCC(C)C)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4S/c1-13(2)9-22-20(26)17-12-30-19(23-17)11-24(10-14(3)4)21(27)16-7-6-15(5)18(8-16)25(28)29/h6-8,12-14H,9-11H2,1-5H3,(H,22,26)