N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O4S/c1-22(2,3)14-23(4,5)15-6-9-17(10-7-15)30-13-20(27)25-21-24-18-11-8-16(26(28)29)12-19(18)31-21/h6-12H,13-14H2,1-5H3,(H,24,25,27)