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

Systemtic Name: 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C)Br

InChI

InChI=1S/C19H21BrN2O3S/c1-10-7-12(20)8-11(2)17(10)25-9-15(23)22-19-16(18(21)24)13-5-3-4-6-14(13)26-19/h7-8H,3-6,9H2,1-2H3,(H2,21,24)(H,22,23)