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

Systemtic Name: 2-benzamido-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-benzamido-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-benzamido-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-benzamido-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-benzamido-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H27BrN2O2S MolecularWeight: 511.47378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27BrN2O2S/c1-26(2,3)17-9-14-20-21(15-17)32-25(29-23(30)16-7-5-4-6-8-16)22(20)24(31)28-19-12-10-18(27)11-13-19/h4-8,10-13,17H,9,14-15H2,1-3H3,(H,28,31)(H,29,30)