2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-isopentyloxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-isoamoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H25BrN2O3S/c1-12(2)9-10-27-16-8-7-13(22)11-15(16)20(26)24-21-18(19(23)25)14-5-3-4-6-17(14)28-21/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,25)(H,24,26)