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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-benzyl-N-(3-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-benzyl-N-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-benzyl-4-keto-N-(3-methoxyphenyl)phthalazine-1-carboxamide Formula: C30H22N4O3S MolecularWeight: 518.58568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C30H22N4O3S/c1-37-22-13-9-12-21(18-22)34(30-31-25-16-7-8-17-26(25)38-30)29(36)27-23-14-5-6-15-24(23)28(35)33(32-27)19-20-10-3-2-4-11-20/h2-18H,19H2,1H3