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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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