N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]acetamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=O)N1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=O)N1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S2/c1-29-22-24-17(14-7-3-2-4-8-14)11-20(28)26(22)13-19(27)25-21-16(12-23)15-9-5-6-10-18(15)30-21/h2-4,7-8,11H,5-6,9-10,13H2,1H3,(H,25,27)