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

Systemtic Name: 1-[1-(6-bromanylphthalazin-1-yl)piperidin-4-yl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[1-(6-bromophthalazin-1-yl)-4-piperidyl]-3-(o-tolyl)thiourea CAS Name: 1-[1-(6-bromo-1-phthalazinyl)-4-piperidinyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[1-(6-bromophthalazin-1-yl)piperidin-4-yl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[1-(6-bromophthalazin-1-yl)-4-piperidyl]-3-(o-tolyl)thiourea Formula: C21H22BrN5S MolecularWeight: 456.40188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2CCN(CC2)C3=C4C=CC(=CC4=CN=N3)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2CCN(CC2)C3=C4C=CC(=CC4=CN=N3)Br

InChI

InChI=1S/C21H22BrN5S/c1-14-4-2-3-5-19(14)25-21(28)24-17-8-10-27(11-9-17)20-18-7-6-16(22)12-15(18)13-23-26-20/h2-7,12-13,17H,8-11H2,1H3,(H2,24,25,28)