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

Systemtic Name: 2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide CAS Name: 2-[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-phenylpropyl)acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S2/c1-3-13-25-21(27)18-14-17(4-2)29-20(18)24-22(25)28-15-19(26)23-12-8-11-16-9-6-5-7-10-16/h3,5-7,9-10,14H,1,4,8,11-13,15H2,2H3,(H,23,26)