S-[[4-(tert-butylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride

Systemtic Name: S-[[4-(tert-butylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-(tert-butylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[(tert-butylamino)-oxomethoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-(tert-butylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-(tert-butylcarbamoyloxy)benzyl] ester hydrochloride Formula: C17H26ClN3O3S MolecularWeight: 387.92464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S.ClH/c1-17(2,3)19-15(21)23-14-6-4-13(5-7-14)12-24-16(22)20-10-8-18-9-11-20;/h4-7,18H,8-12H2,1-3H3,(H,19,21);1H