5-tert-butyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-tert-butyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-tert-butyl-N-[(2-morpholino-4-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-tert-butyl-N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-tert-butyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-tert-butyl-N-[(2-morpholino-4-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=NC=C3)N4CCOCC4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=NC=C3)N4CCOCC4

InChI

InChI=1S/C23H31N3O2S/c1-23(2,3)18-4-5-19-17(13-18)14-20(29-19)22(27)25-15-16-6-7-24-21(12-16)26-8-10-28-11-9-26/h6-7,12,14,18H,4-5,8-11,13,15H2,1-3H3,(H,25,27)