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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(2-bromanyl-4-propan-2-yl-phenoxy)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(2-bromo-4-isopropyl-phenoxy)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(2-bromo-4-isopropyl-phenoxy)butyramide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-13(2)14-9-10-17(15(21)12-14)25-11-5-8-19(24)23-20-22-16-6-3-4-7-18(16)26-20/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,22,23,24)