N-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C23H16N4O2S MolecularWeight: 412.46374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H16N4O2S/c28-22(24-14-20-25-18-12-6-7-13-19(18)30-20)21-16-10-4-5-11-17(16)23(29)27(26-21)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,28)