S-[[4-(prop-2-enylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride

Systemtic Name: S-[[4-(prop-2-enylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-(allylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[oxo-(prop-2-enylamino)methoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-(prop-2-enylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-(allylcarbamoyloxy)benzyl] ester hydrochloride Formula: C16H22ClN3O3S MolecularWeight: 371.88218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S.ClH/c1-2-7-18-15(20)22-14-5-3-13(4-6-14)12-23-16(21)19-10-8-17-9-11-19;/h2-6,17H,1,7-12H2,(H,18,20);1H