1-[1-(7-bromanylphthalazin-1-yl)piperidin-4-yl]-3-(3-chlorophenyl)thiourea

Systemtic Name: 1-[1-(7-bromanylphthalazin-1-yl)piperidin-4-yl]-3-(3-chlorophenyl)thiourea Openeye Name: 1-[1-(7-bromophthalazin-1-yl)-4-piperidyl]-3-(3-chlorophenyl)thiourea CAS Name: 1-[1-(7-bromo-1-phthalazinyl)-4-piperidinyl]-3-(3-chlorophenyl)thiourea IUPAC Name: 1-[1-(7-bromophthalazin-1-yl)piperidin-4-yl]-3-(3-chlorophenyl)thiourea Traditional Name: 1-[1-(7-bromophthalazin-1-yl)-4-piperidyl]-3-(3-chlorophenyl)thiourea Formula: C20H19BrClN5S MolecularWeight: 476.82036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC2=CC(=CC=C2)Cl)C3=C4C=C(C=CC4=CN=N3)Br

Isomeric SMILES

C1CN(CCC1NC(=S)NC2=CC(=CC=C2)Cl)C3=C4C=C(C=CC4=CN=N3)Br

InChI

InChI=1S/C20H19BrClN5S/c21-14-5-4-13-12-23-26-19(18(13)10-14)27-8-6-16(7-9-27)24-20(28)25-17-3-1-2-15(22)11-17/h1-5,10-12,16H,6-9H2,(H2,24,25,28)