4-[2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl]-N-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl]-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C13H21N6O2S2+ MolecularWeight: 357.47484

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CCN=CC2C(=O)NC(=S)NC2=O

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CCN=CC2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C13H20N6O2S2/c1-14-13(23)19-6-4-18(5-7-19)3-2-15-8-9-10(20)16-12(22)17-11(9)21/h8-9H,2-7H2,1H3,(H,14,23)(H2,16,17,20,21,22)/p+1