4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-[4-(3-nitrophenyl)thiazol-2-yl]butanamide CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(3-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-[4-(3-nitrophenyl)thiazol-2-yl]butyramide Formula: C21H19BrClN3O4S MolecularWeight: 524.81526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrClN3O4S/c1-12-9-17(19(22)13(2)20(12)23)30-8-4-7-18(27)25-21-24-16(11-31-21)14-5-3-6-15(10-14)26(28)29/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,24,25,27)