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

Systemtic Name: 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-chloro-benzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(5-bromo-2-chlorobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-chloro-benzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H22BrClN2O2S MolecularWeight: 469.82288

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrClN2O2S/c1-20(2,3)10-4-6-12-15(8-10)27-19(16(12)17(23)25)24-18(26)13-9-11(21)5-7-14(13)22/h5,7,9-10H,4,6,8H2,1-3H3,(H2,23,25)(H,24,26)