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

Systemtic Name: S-[(4-propylsulfonyloxyphenyl)methyl] piperazine-1-carbothioate Openeye Name: S-[(4-propylsulfonyloxyphenyl)methyl] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[(4-propylsulfonyloxyphenyl)methyl] ester IUPAC Name: S-[(4-propylsulfonyloxyphenyl)methyl] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-(4-propylsulfonyloxybenzyl) ester Formula: C15H22N2O4S2 MolecularWeight: 358.47618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S2/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