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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-N-[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]phthalazine-1-carboxamide Formula: C27H23N5O6S MolecularWeight: 545.56642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N5O6S/c1-36-16-9-10-19-22(13-16)39-27(29-19)30-23(33)14-28-25(34)24-17-6-4-5-7-18(17)26(35)32(31-24)15-8-11-20(37-2)21(12-15)38-3/h4-13H,14H2,1-3H3,(H,28,34)(H,29,30,33)