2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide Formula: C22H19N5O3S2 MolecularWeight: 465.54796

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C22H19N5O3S2/c1-22(2)8-14-18(15(28)9-22)32-21(24-14)25-16(29)11-31-20-26-17(12-6-4-3-5-7-12)13(10-23)19(30)27-20/h3-7H,8-9,11H2,1-2H3,(H,24,25,29)(H,26,27,30)