2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide

Systemtic Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide Openeye Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide CAS Name: 2-[(5-tert-butyl-2-methylphenyl)thio]-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide IUPAC Name: 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)thio]-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-15-6-7-16(22(2,3)4)12-20(15)30-14-21(27)25-11-5-10-24-19-9-8-17(26(28)29)13-18(19)23/h6-9,12-13,24H,5,10-11,14H2,1-4H3,(H,25,27)