N-(3-nitrophenyl)-2-(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(4-oxidanylidene-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)ethanamide Openeye Name: N-(3-nitrophenyl)-2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide CAS Name: N-(3-nitrophenyl)-2-[4-oxo-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide IUPAC Name: N-(3-nitrophenyl)-2-(4-oxo-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide Traditional Name: 2-[4-keto-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]-N-(3-nitrophenyl)acetamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N(C2=O)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])SCCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)N=C(N(C2=O)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])SCCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4S/c28-21(24-17-8-4-9-18(14-17)27(30)31)15-26-22(29)19-10-5-11-20(19)25-23(26)32-13-12-16-6-2-1-3-7-16/h1-4,6-9,14H,5,10-13,15H2,(H,24,28)