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

Systemtic Name: N-[3-[[(4-methylpyridin-2-yl)amino]-pyridin-3-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-[[(4-methyl-2-pyridyl)amino]-(3-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-[[(4-methyl-2-pyridinyl)amino]-(3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-[[(4-methylpyridin-2-yl)amino]-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-[[(4-methyl-2-pyridyl)amino]-(3-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=CC(=NC=C1)NC(C2=CN=CC=C2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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