1-[1-(6-bromanylphthalazin-1-yl)piperidin-4-yl]-3-[2-(trifluoromethyloxy)phenyl]thiourea

Systemtic Name: 1-[1-(6-bromanylphthalazin-1-yl)piperidin-4-yl]-3-[2-(trifluoromethyloxy)phenyl]thiourea Openeye Name: 1-[1-(6-bromophthalazin-1-yl)-4-piperidyl]-3-[2-(trifluoromethoxy)phenyl]thiourea CAS Name: 1-[1-(6-bromo-1-phthalazinyl)-4-piperidinyl]-3-[2-(trifluoromethoxy)phenyl]thiourea IUPAC Name: 1-[1-(6-bromophthalazin-1-yl)piperidin-4-yl]-3-[2-(trifluoromethoxy)phenyl]thiourea Traditional Name: 1-[1-(6-bromophthalazin-1-yl)-4-piperidyl]-3-[2-(trifluoromethoxy)phenyl]thiourea Formula: C21H19BrF3N5OS MolecularWeight: 526.37267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC2=CC=CC=C2OC(F)(F)F)C3=C4C=CC(=CC4=CN=N3)Br

Isomeric SMILES

C1CN(CCC1NC(=S)NC2=CC=CC=C2OC(F)(F)F)C3=C4C=CC(=CC4=CN=N3)Br

InChI

InChI=1S/C21H19BrF3N5OS/c22-14-5-6-16-13(11-14)12-26-29-19(16)30-9-7-15(8-10-30)27-20(32)28-17-3-1-2-4-18(17)31-21(23,24)25/h1-6,11-12,15H,7-10H2,(H2,27,28,32)