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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-4-6-10-22-20(26)17-14-30-19(23-17)13-24(11-7-5-2)21(27)16-9-8-15(3)18(12-16)25(28)29/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,22,26)