N-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-keto-3-p-phenetyl-phthalazine-1-carboxamide Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18N4O3S/c1-2-31-16-13-11-15(12-14-16)28-23(30)18-8-4-3-7-17(18)21(27-28)22(29)26-24-25-19-9-5-6-10-20(19)32-24/h3-14H,2H2,1H3,(H,25,26,29)