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

Systemtic Name: 2-(4-bromanyl-2-ethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2-ethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2-ethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-bromo-2-ethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2-ethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrN3O4S/c1-2-10-7-11(18)3-6-14(10)25-9-16(22)20-17-19-13-5-4-12(21(23)24)8-15(13)26-17/h3-8H,2,9H2,1H3,(H,19,20,22)