N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C24H18N4O3S/c1-31-16-11-12-19-20(13-16)32-24(25-19)26-22(29)21-17-9-5-6-10-18(17)23(30)28(27-21)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,25,26,29)