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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C1N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=C1N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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