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

Systemtic Name: S-[[4-(2-chloroethylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-(2-chloroethylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[(2-chloroethylamino)-oxomethoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-(2-chloroethylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-(2-chloroethylcarbamoyloxy)benzyl] ester hydrochloride Formula: C15H21Cl2N3O3S MolecularWeight: 394.31654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O3S.ClH/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);1H