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

Systemtic Name: 2-(2-bromanyl-4-propyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(2-bromo-4-propyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(2-bromo-4-propylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(2-bromo-4-propylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2-bromo-4-propyl-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:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H16BrN3O4S/c1-2-3-11-4-7-15(13(19)8-11)26-10-17(23)21-18-20-14-6-5-12(22(24)25)9-16(14)27-18/h4-9H,2-3,10H2,1H3,(H,20,21,23)