S-[[4-(2-chloroethylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate

Systemtic Name: S-[[4-(2-chloroethylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate Openeye Name: S-[[4-(2-chloroethylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[[4-[(2-chloroethylamino)-oxomethoxy]phenyl]methyl] ester IUPAC Name: S-[[4-(2-chloroethylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-[4-(2-chloroethylcarbamoyloxy)benzyl] ester Formula: C15H20ClN3O3S MolecularWeight: 357.8556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OC(=O)NCCCl

Isomeric SMILES

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OC(=O)NCCCl

InChI

InChI=1S/C15H20ClN3O3S/c16-5-6-18-14(20)22-13-3-1-12(2-4-13)11-23-15(21)19-9-7-17-8-10-19/h1-4,17H,5-11H2,(H,18,20)