N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(6-morpholino-3-pyridyl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(6-morpholino-3-pyridyl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NCC4=CN=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NCC4=CN=C(C=C4)N5CCOCC5

InChI

InChI=1S/C23H26N4O2S/c28-22(25-16-17-7-8-20(24-15-17)26-11-13-29-14-12-26)21-18-5-1-2-6-19(18)30-23(21)27-9-3-4-10-27/h3-4,7-10,15H,1-2,5-6,11-14,16H2,(H,25,28)