S-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl] 6-oxidanyl-1,4-benzodioxine-3-carbothioate

Systemtic Name: S-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl] 6-oxidanyl-1,4-benzodioxine-3-carbothioate Openeye Name: S-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl] 6-hydroxy-1,4-benzodioxine-3-carbothioate CAS Name: 6-hydroxy-1,4-benzodioxin-3-carbothioic acid S-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl] ester IUPAC Name: S-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl] 6-hydroxy-1,4-benzodioxine-3-carbothioate Traditional Name: 6-hydroxy-1,4-benzodioxin-3-carbothioic acid S-[4-(2,3,4-trimethoxybenzyl)piperazino] ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)SC(=O)C3=COC4=C(O3)C=C(C=C4)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)SC(=O)C3=COC4=C(O3)C=C(C=C4)O)OC)OC

InChI

InChI=1S/C23H26N2O7S/c1-28-18-6-4-15(21(29-2)22(18)30-3)13-24-8-10-25(11-9-24)33-23(27)20-14-31-17-7-5-16(26)12-19(17)32-20/h4-7,12,14,26H,8-11,13H2,1-3H3