(6'aS)-3'-nitro-2-sulfanylidene-spiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-4,6-dione

Systemtic Name: (6'aS)-3'-nitro-2-sulfanylidene-spiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-4,6-dione Openeye Name: (6aS)-3-nitro-2'-thioxo-spiro[6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline-6,5'-hexahydropyrimidine]-4',6'-dione CAS Name: (6'aS)-3'-nitro-2-sulfanylidenespiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-4,6-dione IUPAC Name: (6'aS)-3'-nitro-2-sulfanylidenespiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-4,6-dione Traditional Name: (6aS)-3-nitro-2'-thioxo-spiro[6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline-6,5'-hexahydropyrimidine]-4',6'-quinone Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C3(CC4=C(N2CC1)C=CC(=C4)[N+](=O)[O-])C(=O)NC(=S)NC3=O

Isomeric SMILES

C1CC[C@H]2C3(CC4=C(N2CC1)C=CC(=C4)[N+](=O)[O-])C(=O)NC(=S)NC3=O

InChI

InChI=1S/C17H18N4O4S/c22-14-17(15(23)19-16(26)18-14)9-10-8-11(21(24)25)5-6-12(10)20-7-3-1-2-4-13(17)20/h5-6,8,13H,1-4,7,9H2,(H2,18,19,22,23,26)/t13-/m0/s1