3-[2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H18N6O4S MolecularWeight: 462.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C22H18N6O4S/c1-12(29)24-14-8-6-13(7-9-14)17-11-33-22(25-17)26-18(30)10-28-21(32)16-5-3-2-4-15(16)19(27-28)20(23)31/h2-9,11H,10H2,1H3,(H2,23,31)(H,24,29)(H,25,26,30)