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

Systemtic Name: 1-[1-(7-bromanylphthalazin-1-yl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-[1-(7-bromophthalazin-1-yl)-4-piperidyl]-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-[1-(7-bromo-1-phthalazinyl)-4-piperidinyl]-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-[1-(7-bromophthalazin-1-yl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-[1-(7-bromophthalazin-1-yl)-4-piperidyl]-3-[3-(methylthio)phenyl]thiourea Formula: C21H22BrN5S2 MolecularWeight: 488.46688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)NC2CCN(CC2)C3=C4C=C(C=CC4=CN=N3)Br

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)NC2CCN(CC2)C3=C4C=C(C=CC4=CN=N3)Br

InChI

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