N-[3-[[(6-methylpyridin-2-yl)amino]-pyridin-2-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: N-[3-[[(6-methylpyridin-2-yl)amino]-pyridin-2-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-[[(6-methyl-2-pyridyl)amino]-(2-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-[[(6-methyl-2-pyridinyl)amino]-(2-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-[[(6-methylpyridin-2-yl)amino]-pyridin-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-[[(6-methyl-2-pyridyl)amino]-(2-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(C2=CC=CC=N2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC=C1)NC(C2=CC=CC=N2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4OS/c1-18-10-9-16-23(29-18)30-25(21-14-7-8-17-28-21)24-20-13-5-6-15-22(20)33-27(24)31-26(32)19-11-3-2-4-12-19/h2-4,7-12,14,16-17,25H,5-6,13,15H2,1H3,(H,29,30)(H,31,32)