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

Systemtic Name: N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenyl-pyrrolidine-1-carbothioamide Openeye Name: N-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-3-phenyl-pyrrolidine-1-carbothioamide CAS Name: N-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-3-phenyl-1-pyrrolidinecarbothioamide IUPAC Name: N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carbothioamide Traditional Name: N-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-3-phenyl-pyrrolidine-1-carbothioamide Formula: C29H24N6S MolecularWeight: 488.60606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CC=CC=C2)C(=S)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=N5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CC1C2=CC=CC=C2)C(=S)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=N5)C6=CC=CC=N6

InChI

InChI=1S/C29H24N6S/c36-29(35-17-14-21(19-35)20-8-2-1-3-9-20)32-22-12-13-23-26(18-22)34-28(25-11-5-7-16-31-25)27(33-23)24-10-4-6-15-30-24/h1-13,15-16,18,21H,14,17,19H2,(H,32,36)