1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea

Systemtic Name: 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea Openeye Name: 1-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-3-(1,1,3,3-tetramethylbutyl)thiourea CAS Name: 1-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea IUPAC Name: 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea Traditional Name: 1-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-3-(1,1,3,3-tetramethylbutyl)thiourea Formula: C27H30N6S MolecularWeight: 470.6323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6S/c1-26(2,3)17-27(4,5)33-25(34)30-18-12-13-19-22(16-18)32-24(21-11-7-9-15-29-21)23(31-19)20-10-6-8-14-28-20/h6-16H,17H2,1-5H3,(H2,30,33,34)