N-(2,3-dipyridin-2-ylquinoxalin-6-yl)azepane-1-carbothioamide

Systemtic Name: N-(2,3-dipyridin-2-ylquinoxalin-6-yl)azepane-1-carbothioamide Openeye Name: N-[2,3-bis(2-pyridyl)quinoxalin-6-yl]azepane-1-carbothioamide CAS Name: N-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-1-azepanecarbothioamide IUPAC Name: N-(2,3-dipyridin-2-ylquinoxalin-6-yl)azepane-1-carbothioamide Traditional Name: N-[2,3-bis(2-pyridyl)quinoxalin-6-yl]azepane-1-carbothioamide Formula: C25H24N6S MolecularWeight: 440.56326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5

InChI

InChI=1S/C25H24N6S/c32-25(31-15-7-1-2-8-16-31)28-18-11-12-19-22(17-18)30-24(21-10-4-6-14-27-21)23(29-19)20-9-3-5-13-26-20/h3-6,9-14,17H,1-2,7-8,15-16H2,(H,28,32)