2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-10-8-13(21)9-11(2)17(10)26-12(3)19(25)23-20-16(18(22)24)14-6-4-5-7-15(14)27-20/h8-9,12H,4-7H2,1-3H3,(H2,22,24)(H,23,25)