N-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-2-phenethylsulfanyl-ethanamide

Systemtic Name: N-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-2-phenethylsulfanyl-ethanamide Openeye Name: N-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-2-phenethylsulfanyl-acetamide CAS Name: N-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-2-(phenethylthio)acetamide IUPAC Name: N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-phenethylsulfanylacetamide Traditional Name: N-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-2-(phenethylthio)acetamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCC(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSCC(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S2/c26-19(14-28-12-11-16-7-3-1-4-8-16)24-25-15-23-21-20(22(25)27)18(13-29-21)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H,24,26)