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

Systemtic Name: 6-bromanyl-3-methyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 6-bromo-3-methyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzofuran-2-carboxamide CAS Name: 6-bromo-3-methyl-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-benzofurancarboxamide IUPAC Name: 6-bromo-3-methyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 6-bromo-3-methyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]coumarilamide Formula: C25H22BrN3O3S MolecularWeight: 524.42948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C25H22BrN3O3S/c1-14-17-9-8-16(26)11-19(17)32-22(14)24(31)29-25-21(18-6-2-3-7-20(18)33-25)23(30)28-13-15-5-4-10-27-12-15/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,28,30)(H,29,31)