N-(4-bromophenyl)-6-tert-butyl-2-[2-(phenethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-6-tert-butyl-2-[2-(phenethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-bromophenyl)-6-tert-butyl-2-[[2-(phenethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-bromophenyl)-6-tert-butyl-2-[[1-oxo-2-(phenethylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-bromophenyl)-6-tert-butyl-2-[[2-(phenethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-bromophenyl)-6-tert-butyl-2-[[2-(phenethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C29H34BrN3O2S MolecularWeight: 568.56816

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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)CNCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)CNCCC4=CC=CC=C4

InChI

InChI=1S/C29H34BrN3O2S/c1-29(2,3)20-9-14-23-24(17-20)36-28(26(23)27(35)32-22-12-10-21(30)11-13-22)33-25(34)18-31-16-15-19-7-5-4-6-8-19/h4-8,10-13,20,31H,9,14-18H2,1-3H3,(H,32,35)(H,33,34)