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

Systemtic Name: N-(4-bromophenyl)-2-[2-(pyridin-3-ylmethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-bromophenyl)-2-[[2-(3-pyridylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-bromophenyl)-2-[[1-oxo-2-(3-pyridinylmethylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-bromophenyl)-2-[[2-(pyridin-3-ylmethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-bromophenyl)-2-[[2-(3-pyridylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H23BrN4O2S MolecularWeight: 499.42332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CNCC3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CNCC3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrN4O2S/c24-16-7-9-17(10-8-16)27-22(30)21-18-5-1-2-6-19(18)31-23(21)28-20(29)14-26-13-15-4-3-11-25-12-15/h3-4,7-12,26H,1-2,5-6,13-14H2,(H,27,30)(H,28,29)