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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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