4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C19H17BrClN3O4S MolecularWeight: 498.77798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrClN3O4S/c1-10-8-14(17(20)11(2)18(10)21)28-7-3-4-16(25)23-19-22-13-6-5-12(24(26)27)9-15(13)29-19/h5-6,8-9H,3-4,7H2,1-2H3,(H,22,23,25)