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

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-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-(3-chloro-2,6-diethyl-phenyl)acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-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-(3-chloro-2,6-diethyl-phenyl)acetamide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S2/c1-4-10-25-20(27)15-9-11-28-19(15)24-21(25)29-12-17(26)23-18-13(5-2)7-8-16(22)14(18)6-3/h4,7-9,11H,1,5-6,10,12H2,2-3H3,(H,23,26)