N-tert-butyl-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-tert-butyl-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-tert-butyl-propanamide CAS Name: N-tert-butyl-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-tert-butyl-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-tert-butyl-propionamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

InChI

InChI=1S/C22H25N3O2S2/c1-6-12-25-20(27)17-16(15-10-8-7-9-11-15)13-28-19(17)23-21(25)29-14(2)18(26)24-22(3,4)5/h6-11,13-14H,1,12H2,2-5H3,(H,24,26)