N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethanoyl-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethanoyl-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: 3-(5-acetyl-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[(5-acetyl-2,6-dimethyl-4-pyrimidinyl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[(5-acetyl-2,6-dimethyl-pyrimidin-4-yl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C(=O)C

InChI

InChI=1S/C20H22N4O2S2/c1-11-18(12(2)25)20(23-13(3)22-11)27-9-8-17(26)24-19-15(10-21)14-6-4-5-7-16(14)28-19/h4-9H2,1-3H3,(H,24,26)