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

Systemtic Name: N-(4-bromophenyl)-2-[2-(phenethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-bromophenyl)-2-[[2-(phenethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-bromophenyl)-2-[[1-oxo-2-(phenethylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-bromophenyl)-2-[[2-(phenethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-bromophenyl)-2-[[2-(phenethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H26BrN3O2S MolecularWeight: 512.46184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CNCCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CNCCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrN3O2S/c26-18-10-12-19(13-11-18)28-24(31)23-20-8-4-5-9-21(20)32-25(23)29-22(30)16-27-15-14-17-6-2-1-3-7-17/h1-3,6-7,10-13,27H,4-5,8-9,14-16H2,(H,28,31)(H,29,30)