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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H25BrN2O3S/c1-21(2,3)11-5-7-13-16(9-11)28-20(17(13)18(23)25)24-19(26)14-10-12(22)6-8-15(14)27-4/h6,8,10-11H,5,7,9H2,1-4H3,(H2,23,25)(H,24,26)