4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

Systemtic Name: 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Openeye Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide IUPAC Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C21H22BrClN2O2S MolecularWeight: 481.83358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C21H22BrClN2O2S/c1-12-10-16(19(22)13(2)20(12)23)27-9-5-8-18(26)25-21-15(11-24)14-6-3-4-7-17(14)28-21/h10H,3-9H2,1-2H3,(H,25,26)