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

Systemtic Name: N-[3-[pyridin-2-yl-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-[2-pyridyl-(2-pyridylamino)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-[2-pyridinyl-(2-pyridinylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-[pyridin-2-yl-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-[2-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=CC=CC=N4)NC5=CC=CC=N5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(C4=CC=CC=N4)NC5=CC=CC=N5

InChI

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