methyl 2-[3,4-bis(oxidanyl)phenyl]-4-(2-oxidanylideneethyl)piperazine-1-carbodithioate

Systemtic Name: methyl 2-[3,4-bis(oxidanyl)phenyl]-4-(2-oxidanylideneethyl)piperazine-1-carbodithioate Openeye Name: methyl 2-(3,4-dihydroxyphenyl)-4-(2-oxoethyl)piperazine-1-carbodithioate CAS Name: 2-(3,4-dihydroxyphenyl)-4-(2-oxoethyl)-1-piperazinecarbodithioic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydroxyphenyl)-4-(2-oxoethyl)piperazine-1-carbodithioate Traditional Name: 2-(3,4-dihydroxyphenyl)-4-(2-ketoethyl)piperazine-1-carbodithioic acid methyl ester Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)N1CCN(CC1C2=CC(=C(C=C2)O)O)CC=O

Isomeric SMILES

CSC(=S)N1CCN(CC1C2=CC(=C(C=C2)O)O)CC=O

InChI

InChI=1S/C14H18N2O3S2/c1-21-14(20)16-5-4-15(6-7-17)9-11(16)10-2-3-12(18)13(19)8-10/h2-3,7-8,11,18-19H,4-6,9H2,1H3