S-[2-[(2-methoxyphenyl)sulfanylmethyl]pyrrolidin-3-yl] 2-(4-methylpiperazin-1-yl)ethanethioate

Systemtic Name: S-[2-[(2-methoxyphenyl)sulfanylmethyl]pyrrolidin-3-yl] 2-(4-methylpiperazin-1-yl)ethanethioate Openeye Name: S-[2-[(2-methoxyphenyl)sulfanylmethyl]pyrrolidin-3-yl] 2-(4-methylpiperazin-1-yl)ethanethioate CAS Name: 2-(4-methyl-1-piperazinyl)ethanethioic acid S-[2-[[(2-methoxyphenyl)thio]methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[2-[(2-methoxyphenyl)sulfanylmethyl]pyrrolidin-3-yl] 2-(4-methylpiperazin-1-yl)ethanethioate Traditional Name: 2-(4-methylpiperazino)ethanethioic acid S-[2-[[(2-methoxyphenyl)thio]methyl]pyrrolidin-3-yl] ester Formula: C19H29N3O2S2 MolecularWeight: 395.58246

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)SC2CCNC2CSC3=CC=CC=C3OC

Isomeric SMILES

CN1CCN(CC1)CC(=O)SC2CCNC2CSC3=CC=CC=C3OC

InChI

InChI=1S/C19H29N3O2S2/c1-21-9-11-22(12-10-21)13-19(23)26-17-7-8-20-15(17)14-25-18-6-4-3-5-16(18)24-2/h3-6,15,17,20H,7-14H2,1-2H3