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

Systemtic Name: 1-[1-(6-bromanylphthalazin-1-yl)piperidin-4-yl]-3-(3-methyl-2-sulfanyl-phenyl)thiourea Openeye Name: 1-[1-(6-bromophthalazin-1-yl)-4-piperidyl]-3-(3-methyl-2-sulfanyl-phenyl)thiourea CAS Name: 1-[1-(6-bromo-1-phthalazinyl)-4-piperidinyl]-3-(2-mercapto-3-methylphenyl)thiourea IUPAC Name: 1-[1-(6-bromophthalazin-1-yl)piperidin-4-yl]-3-(3-methyl-2-sulfanylphenyl)thiourea Traditional Name: 1-[1-(6-bromophthalazin-1-yl)-4-piperidyl]-3-(2-mercapto-3-methyl-phenyl)thiourea Formula: C21H22BrN5S2 MolecularWeight: 488.46688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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