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

Systemtic Name: 2-[4-(4-methylphenyl)phenoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(p-tolyl)phenoxy]acetamide CAS Name: 2-[4-(4-methylphenyl)phenoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[4-(4-methylphenyl)phenoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(p-tolyl)phenoxy]acetamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-14-2-4-15(5-3-14)16-6-9-18(10-7-16)29-13-21(26)24-22-23-19-11-8-17(25(27)28)12-20(19)30-22/h2-12H,13H2,1H3,(H,23,24,26)