2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanethioic S-acid

Systemtic Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanethioic S-acid Openeye Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanethioic S-acid CAS Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethanethioic S-acid IUPAC Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanethioic S-acid Traditional Name: 2-[4-(2,3,4-trimethoxybenzyl)piperazino]thioacetic acid Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(=O)S)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(=O)S)OC)OC

InChI

InChI=1S/C16H24N2O4S/c1-20-13-5-4-12(15(21-2)16(13)22-3)10-17-6-8-18(9-7-17)11-14(19)23/h4-5H,6-11H2,1-3H3,(H,19,23)