N-cyclooctyl-2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-cyclooctyl-2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclooctyl-acetamide CAS Name: N-cyclooctyl-2-[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-cyclooctyl-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-cyclooctyl-acetamide Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3CCCCCCC3

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H29N3O2S2/c1-3-12-24-20(26)17-13-16(4-2)28-19(17)23-21(24)27-14-18(25)22-15-10-8-6-5-7-9-11-15/h3,13,15H,1,4-12,14H2,2H3,(H,22,25)