N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[[5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[[5-(5-pyrimidyl)coumaran-2-yl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCC3CC4=C(O3)C=CC(=C4)C5=CN=CN=C5

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NCC3CC4=C(O3)C=CC(=C4)C5=CN=CN=C5

InChI

InChI=1S/C22H21N3O2S/c26-22(19-12-28-21-4-2-1-3-18(19)21)25-11-17-8-15-7-14(5-6-20(15)27-17)16-9-23-13-24-10-16/h5-7,9-10,12-13,17H,1-4,8,11H2,(H,25,26)