N'-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbothiohydrazide

Systemtic Name: N'-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbothiohydrazide Openeye Name: N'-[(3-chloro-4-methoxy-phenyl)methyl]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carbothiohydrazide CAS Name: N'-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbothiohydrazide IUPAC Name: N'-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbothiohydrazide Traditional Name: N'-(3-chloro-4-methoxy-benzyl)-1-(4-hydroxypiperidino)phthalazine-6-carbothiohydrazide Formula: C22H24ClN5O2S MolecularWeight: 457.97626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNNC(=S)C2=CC3=CN=NC(=C3C=C2)N4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNNC(=S)C2=CC3=CN=NC(=C3C=C2)N4CCC(CC4)O)Cl

InChI

InChI=1S/C22H24ClN5O2S/c1-30-20-5-2-14(10-19(20)23)12-24-27-22(31)15-3-4-18-16(11-15)13-25-26-21(18)28-8-6-17(29)7-9-28/h2-5,10-11,13,17,24,29H,6-9,12H2,1H3,(H,27,31)