1-(4-bromophenyl)-3-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]thiourea CAS Name: 1-(4-bromophenyl)-3-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]thiourea Traditional Name: 1-(4-bromophenyl)-3-[3-(4-phenylpiperazino)quinoxalin-2-yl]thiourea Formula: C25H23BrN6S MolecularWeight: 519.45932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3NC(=S)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3NC(=S)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H23BrN6S/c26-18-10-12-19(13-11-18)27-25(33)30-23-24(29-22-9-5-4-8-21(22)28-23)32-16-14-31(15-17-32)20-6-2-1-3-7-20/h1-13H,14-17H2,(H2,27,28,30,33)