4-[1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-N-(3-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-N-(3-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(1,1-dioxothiolane-3-carbonyl)-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[(1,1-dioxo-3-thiolanyl)-oxomethyl]-N-(3-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1,1-dioxothiolane-3-carbonyl)-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(1,1-diketothiolane-3-carbonyl)-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C16H20N4O6S MolecularWeight: 396.4182

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1C(=O)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1C(=O)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O6S/c21-15(12-4-9-27(25,26)11-12)18-5-7-19(8-6-18)16(22)17-13-2-1-3-14(10-13)20(23)24/h1-3,10,12H,4-9,11H2,(H,17,22)