N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18N4O2S/c29-22(14-20-17-5-1-2-6-18(17)24(30)28-27-20)25-16-11-9-15(10-12-16)13-23-26-19-7-3-4-8-21(19)31-23/h1-12H,13-14H2,(H,25,29)(H,28,30)