2-[2-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanamide

Systemtic Name: 2-[2-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanamide Openeye Name: 2-[2-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]sulfanyl-4-methyl-thiazol-5-yl]acetamide CAS Name: 2-[2-[[4-(tert-butylsulfamoyl)-2-nitrophenyl]thio]-4-methyl-5-thiazolyl]acetamide IUPAC Name: 2-[2-[4-(tert-butylsulfamoyl)-2-nitrophenyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide Traditional Name: 2-[2-[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]thio]-4-methyl-thiazol-5-yl]acetamide Formula: C16H20N4O5S3 MolecularWeight: 444.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C16H20N4O5S3/c1-9-13(8-14(17)21)27-15(18-9)26-12-6-5-10(7-11(12)20(22)23)28(24,25)19-16(2,3)4/h5-7,19H,8H2,1-4H3,(H2,17,21)