2-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(5-bromo-3-benzofuranyl)-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[[2-(5-bromo-1-benzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H23BrN2O3S MolecularWeight: 523.44142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=COC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=COC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H23BrN2O3S/c27-18-10-11-21-20(13-18)17(15-32-21)12-23(30)29-26-24(19-8-4-5-9-22(19)33-26)25(31)28-14-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15H,4-5,8-9,12,14H2,(H,28,31)(H,29,30)