2-[C-[4-[C-(carboxymethylsulfanyl)-N-prop-2-enyl-carbonimidoyl]piperazin-1-yl]-N-prop-2-enyl-carbonimidoyl]sulfanylethanoic acid

Systemtic Name: 2-[C-[4-[C-(carboxymethylsulfanyl)-N-prop-2-enyl-carbonimidoyl]piperazin-1-yl]-N-prop-2-enyl-carbonimidoyl]sulfanylethanoic acid Openeye Name: 2-[N-allyl-C-[4-[N-allyl-C-(carboxymethylsulfanyl)carbonimidoyl]piperazin-1-yl]carbonimidoyl]sulfanylacetic acid CAS Name: 2-[[[4-[(carboxymethylthio)-prop-2-enyliminomethyl]-1-piperazinyl]-prop-2-enyliminomethyl]thio]acetic acid IUPAC Name: 2-[C-[4-[C-(carboxymethylsulfanyl)-N-prop-2-enylcarbonimidoyl]piperazin-1-yl]-N-prop-2-enylcarbonimidoyl]sulfanylacetic acid Traditional Name: 2-[[N-allyl-C-[4-[N-allyl-C-(carboxymethylthio)carbonimidoyl]piperazino]carbonimidoyl]thio]acetic acid Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N1CCN(CC1)C(=NCC=C)SCC(=O)O)SCC(=O)O

Isomeric SMILES

C=CCN=C(N1CCN(CC1)C(=NCC=C)SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C16H24N4O4S2/c1-3-5-17-15(25-11-13(21)22)19-7-9-20(10-8-19)16(18-6-4-2)26-12-14(23)24/h3-4H,1-2,5-12H2,(H,21,22)(H,23,24)