S-[(4-propylsulfonyloxyphenyl)methyl] piperazine-1-carbothioate hydrochloride

Systemtic Name: S-[(4-propylsulfonyloxyphenyl)methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[(4-propylsulfonyloxyphenyl)methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[(4-propylsulfonyloxyphenyl)methyl] ester hydrochloride IUPAC Name: S-[(4-propylsulfonyloxyphenyl)methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-(4-propylsulfonyloxybenzyl) ester hydrochloride Formula: C15H23ClN2O4S2 MolecularWeight: 394.93712

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)CSC(=O)N2CCNCC2.Cl

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)CSC(=O)N2CCNCC2.Cl

InChI

InChI=1S/C15H22N2O4S2.ClH/c1-2-11-23(19,20)21-14-5-3-13(4-6-14)12-22-15(18)17-9-7-16-8-10-17;/h3-6,16H,2,7-12H2,1H3;1H