S-[[4-[(3-methylphenyl)methylcarbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride

Systemtic Name: S-[[4-[(3-methylphenyl)methylcarbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-(m-tolylmethylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[[(3-methylphenyl)methylamino]-oxomethoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-[(3-methylphenyl)methylcarbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-[(3-methylbenzyl)carbamoyloxy]benzyl] ester hydrochloride Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

InChI

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