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

Systemtic Name: 2-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(5-bromo-3-benzofuranyl)-1-oxoethyl]amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(5-bromo-1-benzofuran-3-yl)acetyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H22BrN3O3S MolecularWeight: 524.42948

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrN3O3S/c26-17-7-8-20-19(11-17)16(14-32-20)10-22(30)29-25-23(18-5-1-2-6-21(18)33-25)24(31)28-13-15-4-3-9-27-12-15/h3-4,7-9,11-12,14H,1-2,5-6,10,13H2,(H,28,31)(H,29,30)