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

Systemtic Name: S-[[4-(cyclopentylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-(cyclopentylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[(cyclopentylamino)-oxomethoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-(cyclopentylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-(cyclopentylcarbamoyloxy)benzyl] ester hydrochloride Formula: C18H26ClN3O3S MolecularWeight: 399.93534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

Isomeric SMILES

C1CCC(C1)NC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

InChI

InChI=1S/C18H25N3O3S.ClH/c22-17(20-15-3-1-2-4-15)24-16-7-5-14(6-8-16)13-25-18(23)21-11-9-19-10-12-21;/h5-8,15,19H,1-4,9-13H2,(H,20,22);1H