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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=NC5=CC=CC=C5S4

InChI

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