2-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-(4-isobutylphenyl)thiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-N-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(4-isobutylphenyl)thiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C21H21N3O3S/c1-13(2)11-15-7-9-16(10-8-15)18-12-28-21(22-18)23-20(25)17-5-4-6-19(14(17)3)24(26)27/h4-10,12-13H,11H2,1-3H3,(H,22,23,25)