N-(2-bromophenyl)-6-tert-butyl-2-(2-phenoxyethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2-bromophenyl)-6-tert-butyl-2-(2-phenoxyethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-bromophenyl)-6-tert-butyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-bromophenyl)-6-tert-butyl-2-[(1-oxo-2-phenoxyethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-bromophenyl)-6-tert-butyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-bromophenyl)-6-tert-butyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3Br)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3Br)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C27H29BrN2O3S/c1-27(2,3)17-13-14-19-22(15-17)34-26(30-23(31)16-33-18-9-5-4-6-10-18)24(19)25(32)29-21-12-8-7-11-20(21)28/h4-12,17H,13-16H2,1-3H3,(H,29,32)(H,30,31)