N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C26H21N5O5S MolecularWeight: 515.54044

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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=C(S4)C=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=NC5=C(S4)C=C(C=C5)OC

InChI

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