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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C23H22N4OS2 MolecularWeight: 434.57698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS2/c1-15-25-19(16-7-3-2-4-8-16)13-22(26-15)29-12-11-21(28)27-23-18(14-24)17-9-5-6-10-20(17)30-23/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,27,28)