N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C17H21N3OS/c1-20(2)16-12(6-5-9-18-16)10-19-17(21)14-11-22-15-8-4-3-7-13(14)15/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,21)