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

Systemtic Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[2-(2-chloro-4-nitro-anilino)ethyl]acetamide CAS Name: 2-[(5-tert-butyl-2-methylphenyl)thio]-N-[2-(2-chloro-4-nitroanilino)ethyl]acetamide IUPAC Name: 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-chloro-4-nitroanilino)ethyl]acetamide Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)thio]-N-[2-(2-chloro-4-nitro-anilino)ethyl]acetamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-14-5-6-15(21(2,3)4)11-19(14)29-13-20(26)24-10-9-23-18-8-7-16(25(27)28)12-17(18)22/h5-8,11-12,23H,9-10,13H2,1-4H3,(H,24,26)