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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H16N4O3S/c1-30-15-12-10-14(11-13-15)27-22(29)17-7-3-2-6-16(17)20(26-27)21(28)25-23-24-18-8-4-5-9-19(18)31-23/h2-13H,1H3,(H,24,25,28)