4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbothioamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbothioamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carbothioamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbothioamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-hydroxypiperidino)phthalazine-6-carbothioamide Formula: C22H24ClN5O2S MolecularWeight: 457.97626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C(=S)N)N4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C(=S)N)N4CCC(CC4)O)Cl

InChI

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