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

Systemtic Name: N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-(2-pyridylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[[3-(2-pyridinylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(2-pyridylmethoxy)benzyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C22H22N2O2S/c25-22(21-13-17-7-1-2-10-20(17)27-21)24-14-16-6-5-9-19(12-16)26-15-18-8-3-4-11-23-18/h3-6,8-9,11-13H,1-2,7,10,14-15H2,(H,24,25)