N-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C25H19N5O4S MolecularWeight: 485.51446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H19N5O4S/c1-34-16-12-10-15(11-13-16)30-24(33)18-7-3-2-6-17(18)22(29-30)23(32)26-14-21(31)28-25-27-19-8-4-5-9-20(19)35-25/h2-13H,14H2,1H3,(H,26,32)(H,27,28,31)