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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-methyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-6-oxo-4-phenyl-1-pyrimidinyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(6-keto-2-methyl-4-phenyl-pyrimidin-1-yl)acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=O)N1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=O)N1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-14-24-18(15-7-3-2-4-8-15)11-21(28)26(14)13-20(27)25-22-17(12-23)16-9-5-6-10-19(16)29-22/h2-4,7-8,11H,5-6,9-10,13H2,1H3,(H,25,27)