N-[(4-chlorophenyl)methyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-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-(4-chlorobenzyl)acetamide Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)Cl)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)Cl)SC=C2

InChI

InChI=1S/C18H16ClN3O2S2/c1-2-8-22-17(24)14-7-9-25-16(14)21-18(22)26-11-15(23)20-10-12-3-5-13(19)6-4-12/h2-7,9H,1,8,10-11H2,(H,20,23)