1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-propyl-thiourea

Systemtic Name: 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-propyl-thiourea Openeye Name: 1-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-3-propyl-thiourea CAS Name: 1-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-3-propylthiourea IUPAC Name: 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-propylthiourea Traditional Name: 1-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-3-propyl-thiourea Formula: C22H20N6S MolecularWeight: 400.4994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4

Isomeric SMILES

CCCNC(=S)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4

InChI

InChI=1S/C22H20N6S/c1-2-11-25-22(29)26-15-9-10-16-19(14-15)28-21(18-8-4-6-13-24-18)20(27-16)17-7-3-5-12-23-17/h3-10,12-14H,2,11H2,1H3,(H2,25,26,29)