N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C23H22N4O4S/c1-4-11-27-22(29)16-8-6-5-7-15(16)20(26-27)21(28)25-23-24-18(13-32-23)17-12-14(30-2)9-10-19(17)31-3/h5-10,12-13H,4,11H2,1-3H3,(H,24,25,28)