3,6-dimethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,6-dimethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 3,6-dimethyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzofuran-2-carboxamide CAS Name: 3,6-dimethyl-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-benzofurancarboxamide IUPAC Name: 3,6-dimethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 3,6-dimethyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]coumarilamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5)C

InChI

InChI=1S/C26H25N3O3S/c1-15-9-10-18-16(2)23(32-20(18)12-15)25(31)29-26-22(19-7-3-4-8-21(19)33-26)24(30)28-14-17-6-5-11-27-13-17/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,28,30)(H,29,31)