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

Systemtic Name: N-[3-[phenyl-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[phenyl-(2-pyridylamino)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[phenyl-(2-pyridinylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-[phenyl-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[phenyl-(2-pyridylamino)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C25H23N3O2S MolecularWeight: 429.53402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(C4=CC=CC=C4)NC5=CC=CC=N5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(C4=CC=CC=C4)NC5=CC=CC=N5

InChI

InChI=1S/C25H23N3O2S/c29-24(19-12-8-16-30-19)28-25-22(18-11-4-5-13-20(18)31-25)23(17-9-2-1-3-10-17)27-21-14-6-7-15-26-21/h1-3,6-10,12,14-16,23H,4-5,11,13H2,(H,26,27)(H,28,29)