N-[1-(4-ethylphenyl)ethyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(4-ethylphenyl)ethyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide CAS Name: N-[1-(4-ethylphenyl)ethyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[1-(4-ethylphenyl)ethyl]-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[1-(4-ethylphenyl)ethyl]acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C21H23N3O2S2/c1-4-11-24-20(26)17-10-12-27-19(17)23-21(24)28-13-18(25)22-14(3)16-8-6-15(5-2)7-9-16/h4,6-10,12,14H,1,5,11,13H2,2-3H3,(H,22,25)