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

Systemtic Name: N-[3-[pyridin-3-yl-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-[3-pyridyl-(2-pyridylamino)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-[3-pyridinyl-(2-pyridinylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-[pyridin-3-yl-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-[3-pyridyl-(2-pyridylamino)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C26H24N4OS MolecularWeight: 440.55996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(C4=CN=CC=C4)NC5=CC=CC=N5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(C4=CN=CC=C4)NC5=CC=CC=N5

InChI

InChI=1S/C26H24N4OS/c31-25(18-9-2-1-3-10-18)30-26-23(20-12-4-5-13-21(20)32-26)24(19-11-8-15-27-17-19)29-22-14-6-7-16-28-22/h1-3,6-11,14-17,24H,4-5,12-13H2,(H,28,29)(H,30,31)