2-[5-(2-carbamimidoylsulfanylethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]ethyl carbamimidothioate

Systemtic Name: 2-[5-(2-carbamimidoylsulfanylethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]ethyl carbamimidothioate Openeye Name: 2-[2-[5-(2-carbamimidoylsulfanylethyl)-3,6-dioxo-piperazin-2-yl]ethyl]isothiourea CAS Name: carbamimidothioic acid 2-[5-[2-(carbamimidoylthio)ethyl]-3,6-dioxo-2-piperazinyl]ethyl ester IUPAC Name: 2-[5-(2-carbamimidoylsulfanylethyl)-3,6-dioxopiperazin-2-yl]ethyl carbamimidothioate Traditional Name: 2-[2-[5-[2-(amidinothio)ethyl]-3,6-diketo-piperazin-2-yl]ethyl]isothiourea Formula: C10H18N6O2S2 MolecularWeight: 318.41892

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Descriptors Computed from Structure

Canonical SMILES:

C(CSC(=N)N)C1C(=O)NC(C(=O)N1)CCSC(=N)N

Isomeric SMILES

C(CSC(=N)N)C1C(=O)NC(C(=O)N1)CCSC(=N)N

InChI

InChI=1S/C10H18N6O2S2/c11-9(12)19-3-1-5-7(17)16-6(8(18)15-5)2-4-20-10(13)14/h5-6H,1-4H2,(H3,11,12)(H3,13,14)(H,15,18)(H,16,17)