N-(5-chloranyl-2-cyano-phenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C22H19ClN4O2S2 MolecularWeight: 470.99486

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N)SC4=C2CCCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N)SC4=C2CCCC4

InChI

InChI=1S/C22H19ClN4O2S2/c1-2-9-27-21(29)19-15-5-3-4-6-17(15)31-20(19)26-22(27)30-12-18(28)25-16-10-14(23)8-7-13(16)11-24/h2,7-8,10H,1,3-6,9,12H2,(H,25,28)