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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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