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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-N-[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]phthalazine-1-carboxamide Formula: C26H20ClN5O5S MolecularWeight: 549.9855

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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)Cl

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)Cl

InChI

InChI=1S/C26H20ClN5O5S/c1-36-15-8-9-19-21(12-15)38-26(29-19)30-22(33)13-28-24(34)23-16-5-3-4-6-17(16)25(35)32(31-23)14-7-10-20(37-2)18(27)11-14/h3-12H,13H2,1-2H3,(H,28,34)(H,29,30,33)