[2-[[3,3-dimethyl-7-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxidanylidene-ethyl] N,N'-diethylcarbamimidothioate

Systemtic Name: [2-[[3,3-dimethyl-7-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxidanylidene-ethyl] N,N'-diethylcarbamimidothioate Openeye Name: 2-(N,N'-diethylcarbamimidoyl)sulfanyl-N-[3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]acetamide CAS Name: N,N'-diethylcarbamimidothioic acid [2-[[3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxoethyl] N,N'-diethylcarbamimidothioate Traditional Name: 2-[(N,N'-diethylamidino)thio]-N-[7-keto-3,3-dimethyl-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]acetamide Formula: C15H24N8O2S2 MolecularWeight: 412.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C3=NNN=N3

Isomeric SMILES

CCNC(=NCC)SCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C3=NNN=N3

InChI

InChI=1S/C15H24N8O2S2/c1-5-16-14(17-6-2)26-7-8(24)18-9-12(25)23-10(11-19-21-22-20-11)15(3,4)27-13(9)23/h9-10,13H,5-7H2,1-4H3,(H,16,17)(H,18,24)(H,19,20,21,22)