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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamide Openeye Name: 2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide Traditional Name: 2-(4-cumylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-24(2,16-6-4-3-5-7-16)17-8-11-19(12-9-17)31-15-22(28)26-23-25-20-13-10-18(27(29)30)14-21(20)32-23/h3-14H,15H2,1-2H3,(H,25,26,28)