S-[[4-[(phenylmethyl)carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride

Systemtic Name: S-[[4-[(phenylmethyl)carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-(benzylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[oxo-[(phenylmethyl)amino]methoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-(benzylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-(benzylcarbamoyloxy)benzyl] ester hydrochloride Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OC(=O)NCC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OC(=O)NCC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H23N3O3S.ClH/c24-19(22-14-16-4-2-1-3-5-16)26-18-8-6-17(7-9-18)15-27-20(25)23-12-10-21-11-13-23;/h1-9,21H,10-15H2,(H,22,24);1H