(2S)-N-(3-cyanophenyl)-2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-(5-cyclopropyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-[(5-cyclopropyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-[(5-cyclopropyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionamide Formula: C25H20N4O2S2 MolecularWeight: 472.5819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S2/c1-15(22(30)27-18-7-5-6-16(12-18)13-26)33-25-28-23-21(20(14-32-23)17-10-11-17)24(31)29(25)19-8-3-2-4-9-19/h2-9,12,14-15,17H,10-11H2,1H3,(H,27,30)/t15-/m0/s1