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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-20(2,3)13-6-4-12(5-7-13)16-11-28-19(22-16)23-18(25)15-10-14(21)8-9-17(15)24(26)27/h4-11H,1-3H3,(H,22,23,25)