3-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N)OC

InChI

InChI=1S/C22H19N5O5S/c1-31-16-8-7-12(9-17(16)32-2)15-11-33-22(24-15)25-18(28)10-27-21(30)14-6-4-3-5-13(14)19(26-27)20(23)29/h3-9,11H,10H2,1-2H3,(H2,23,29)(H,24,25,28)