2-[[3-(4-nitrophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[3-(4-nitrophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4S2/c27-19(23-12-10-15-4-2-1-3-5-15)14-32-22-24-18-11-13-31-20(18)21(28)25(22)16-6-8-17(9-7-16)26(29)30/h1-9H,10-14H2,(H,23,27)