[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C17H23N3O5S2/c1-12-4-6-20(7-5-12)17(26)27-11-15(22)25-10-14(21)19-16(23)18-9-13-3-2-8-24-13/h2-3,8,12H,4-7,9-11H2,1H3,(H2,18,19,21,23)