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

Systemtic Name: 4-(2-bromanyl-4-propan-2-yl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(2-bromo-4-isopropyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(2-bromo-4-propan-2-ylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O4S/c1-12(2)13-5-8-17(15(21)10-13)28-9-3-4-19(25)23-20-22-16-7-6-14(24(26)27)11-18(16)29-20/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,23,25)