S-[[4-(propan-2-ylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride

Systemtic Name: S-[[4-(propan-2-ylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-(isopropylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[oxo-(propan-2-ylamino)methoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-(propan-2-ylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-(isopropylcarbamoyloxy)benzyl] ester hydrochloride Formula: C16H24ClN3O3S MolecularWeight: 373.89806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S.ClH/c1-12(2)18-15(20)22-14-5-3-13(4-6-14)11-23-16(21)19-9-7-17-8-10-19;/h3-6,12,17H,7-11H2,1-2H3,(H,18,20);1H