1-[1-(7-bromanylphthalazin-1-yl)piperidin-4-yl]-3-(4-methyl-2-sulfanyl-phenyl)thiourea

Systemtic Name: 1-[1-(7-bromanylphthalazin-1-yl)piperidin-4-yl]-3-(4-methyl-2-sulfanyl-phenyl)thiourea Openeye Name: 1-[1-(7-bromophthalazin-1-yl)-4-piperidyl]-3-(4-methyl-2-sulfanyl-phenyl)thiourea CAS Name: 1-[1-(7-bromo-1-phthalazinyl)-4-piperidinyl]-3-(2-mercapto-4-methylphenyl)thiourea IUPAC Name: 1-[1-(7-bromophthalazin-1-yl)piperidin-4-yl]-3-(4-methyl-2-sulfanylphenyl)thiourea Traditional Name: 1-[1-(7-bromophthalazin-1-yl)-4-piperidyl]-3-(2-mercapto-4-methyl-phenyl)thiourea Formula: C21H22BrN5S2 MolecularWeight: 488.46688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2CCN(CC2)C3=C4C=C(C=CC4=CN=N3)Br)S

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2CCN(CC2)C3=C4C=C(C=CC4=CN=N3)Br)S

InChI

InChI=1S/C21H22BrN5S2/c1-13-2-5-18(19(28)10-13)25-21(29)24-16-6-8-27(9-7-16)20-17-11-15(22)4-3-14(17)12-23-26-20/h2-5,10-12,16,28H,6-9H2,1H3,(H2,24,25,29)