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

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-3-(3,4-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C26H21N5O5S MolecularWeight: 515.54044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N5O5S/c1-35-19-12-11-15(13-20(19)36-2)31-25(34)17-8-4-3-7-16(17)23(30-31)24(33)27-14-22(32)29-26-28-18-9-5-6-10-21(18)37-26/h3-13H,14H2,1-2H3,(H,27,33)(H,28,29,32)