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

Systemtic Name: N-(2-methylpropyl)-2-[[2-methylpropyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-isobutyl-2-[[isobutyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxamide CAS Name: N-(2-methylpropyl)-2-[[2-methylpropyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-(2-methylpropyl)-2-[[2-methylpropyl-(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-isobutyl-2-[[isobutyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-13(2)9-21-19(25)17-12-29-18(22-17)11-23(10-14(3)4)20(26)15-6-5-7-16(8-15)24(27)28/h5-8,12-14H,9-11H2,1-4H3,(H,21,25)