2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-phenylbutyl)ethanamide

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-phenylbutyl)ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-phenylbutyl)acetamide CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]-N-(2-phenylbutyl)acetamide IUPAC Name: 2-(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-phenylbutyl)acetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-(2-phenylbutyl)acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC2=C(C(=O)N1CC=C)SC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CSC1=NC2=C(C(=O)N1CC=C)SC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S2/c1-3-11-24-20(26)19-17(10-12-27-19)23-21(24)28-14-18(25)22-13-15(4-2)16-8-6-5-7-9-16/h3,5-10,12,15H,1,4,11,13-14H2,2H3,(H,22,25)