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

Systemtic Name: N-[3-[phenyl-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-[phenyl-(2-pyridylamino)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-[phenyl-(2-pyridinylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-[phenyl-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-[phenyl-(2-pyridylamino)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C27H25N3OS MolecularWeight: 439.5719

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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=C4)NC5=CC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3OS/c31-26(20-13-5-2-6-14-20)30-27-24(21-15-7-8-16-22(21)32-27)25(19-11-3-1-4-12-19)29-23-17-9-10-18-28-23/h1-6,9-14,17-18,25H,7-8,15-16H2,(H,28,29)(H,30,31)