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

Systemtic Name: S-[[4-(cyclohexylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-(cyclohexylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[(cyclohexylamino)-oxomethoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-(cyclohexylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-(cyclohexylcarbamoyloxy)benzyl] ester hydrochloride Formula: C19H28ClN3O3S MolecularWeight: 413.96192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

InChI

InChI=1S/C19H27N3O3S.ClH/c23-18(21-16-4-2-1-3-5-16)25-17-8-6-15(7-9-17)14-26-19(24)22-12-10-20-11-13-22;/h6-9,16,20H,1-5,10-14H2,(H,21,23);1H