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

Systemtic Name: 1-[1-(7-bromanylphthalazin-1-yl)piperidin-4-yl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[1-(7-bromophthalazin-1-yl)-4-piperidyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[1-(7-bromo-1-phthalazinyl)-4-piperidinyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[1-(7-bromophthalazin-1-yl)piperidin-4-yl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[1-(7-bromophthalazin-1-yl)-4-piperidyl]-3-(4-methoxyphenyl)thiourea Formula: C21H22BrN5OS MolecularWeight: 472.40128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C3=C4C=C(C=CC4=CN=N3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C3=C4C=C(C=CC4=CN=N3)Br

InChI

InChI=1S/C21H22BrN5OS/c1-28-18-6-4-16(5-7-18)24-21(29)25-17-8-10-27(11-9-17)20-19-12-15(22)3-2-14(19)13-23-26-20/h2-7,12-13,17H,8-11H2,1H3,(H2,24,25,29)