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

Systemtic Name: N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[4-(4-isobutylphenyl)thiazol-2-yl]-2-nitro-benzamide CAS Name: N-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-2-nitrobenzamide IUPAC Name: N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[4-(4-isobutylphenyl)thiazol-2-yl]-2-nitro-benzamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-13(2)11-14-7-9-15(10-8-14)17-12-27-20(21-17)22-19(24)16-5-3-4-6-18(16)23(25)26/h3-10,12-13H,11H2,1-2H3,(H,21,22,24)