3-[2-[(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[(5-acetyl-4-phenyl-thiazol-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[(5-acetyl-4-phenyl-2-thiazolyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[(5-acetyl-4-phenyl-thiazol-2-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O4S/c1-12(28)19-17(13-7-3-2-4-8-13)25-22(32-19)24-16(29)11-27-21(31)15-10-6-5-9-14(15)18(26-27)20(23)30/h2-10H,11H2,1H3,(H2,23,30)(H,24,25,29)