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

Systemtic Name: 5-chloranyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[4-(4-isobutylphenyl)thiazol-2-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[4-(4-isobutylphenyl)thiazol-2-yl]-2-nitro-benzamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-12(2)9-13-3-5-14(6-4-13)17-11-28-20(22-17)23-19(25)16-10-15(21)7-8-18(16)24(26)27/h3-8,10-12H,9H2,1-2H3,(H,22,23,25)