1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dipyridin-2-ylquinoxalin-6-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dipyridin-2-ylquinoxalin-6-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2,3-bis(2-pyridyl)quinoxalin-6-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dipyridin-2-ylquinoxalin-6-yl)thiourea Traditional Name: 1-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-3-piperonyl-thiourea Formula: C27H20N6O2S MolecularWeight: 492.5517

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=N5)C6=CC=CC=N6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=N5)C6=CC=CC=N6

InChI

InChI=1S/C27H20N6O2S/c36-27(30-15-17-7-10-23-24(13-17)35-16-34-23)31-18-8-9-19-22(14-18)33-26(21-6-2-4-12-29-21)25(32-19)20-5-1-3-11-28-20/h1-14H,15-16H2,(H2,30,31,36)