methyl 4-(2-oxidanylideneethyl)-2-(2,3,4-trimethoxyphenyl)piperazine-1-carbodithioate

Systemtic Name: methyl 4-(2-oxidanylideneethyl)-2-(2,3,4-trimethoxyphenyl)piperazine-1-carbodithioate Openeye Name: methyl 4-(2-oxoethyl)-2-(2,3,4-trimethoxyphenyl)piperazine-1-carbodithioate CAS Name: 4-(2-oxoethyl)-2-(2,3,4-trimethoxyphenyl)-1-piperazinecarbodithioic acid methyl ester IUPAC Name: methyl 4-(2-oxoethyl)-2-(2,3,4-trimethoxyphenyl)piperazine-1-carbodithioate Traditional Name: 4-(2-ketoethyl)-2-(2,3,4-trimethoxyphenyl)piperazine-1-carbodithioic acid methyl ester Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CN(CCN2C(=S)SC)CC=O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2CN(CCN2C(=S)SC)CC=O)OC)OC

InChI

InChI=1S/C17H24N2O4S2/c1-21-14-6-5-12(15(22-2)16(14)23-3)13-11-18(9-10-20)7-8-19(13)17(24)25-4/h5-6,10,13H,7-9,11H2,1-4H3