S-[[4-[(2-methylphenyl)methylcarbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride

Systemtic Name: S-[[4-[(2-methylphenyl)methylcarbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-(o-tolylmethylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[[(2-methylphenyl)methylamino]-oxomethoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-[(2-methylphenyl)methylcarbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-[(2-methylbenzyl)carbamoyloxy]benzyl] ester hydrochloride Formula: C21H26ClN3O3S MolecularWeight: 435.96744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

InChI

InChI=1S/C21H25N3O3S.ClH/c1-16-4-2-3-5-18(16)14-23-20(25)27-19-8-6-17(7-9-19)15-28-21(26)24-12-10-22-11-13-24;/h2-9,22H,10-15H2,1H3,(H,23,25);1H