2-(4-bromanyl-2-propan-2-yl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-propan-2-yl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2-propan-2-ylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-bromo-2-propan-2-ylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2-isopropyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C18H16BrN3O4S MolecularWeight: 450.30634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O4S/c1-10(2)13-7-11(19)3-6-15(13)26-9-17(23)21-18-20-14-5-4-12(22(24)25)8-16(14)27-18/h3-8,10H,9H2,1-2H3,(H,20,21,23)