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

Systemtic Name: S-[[4-[(4-methoxyphenyl)methylcarbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-[(4-methoxyphenyl)methylcarbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[[(4-methoxyphenyl)methylamino]-oxomethoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-[(4-methoxyphenyl)methylcarbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-(p-anisylcarbamoyloxy)benzyl] ester hydrochloride Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3.Cl

InChI

InChI=1S/C21H25N3O4S.ClH/c1-27-18-6-2-16(3-7-18)14-23-20(25)28-19-8-4-17(5-9-19)15-29-21(26)24-12-10-22-11-13-24;/h2-9,22H,10-15H2,1H3,(H,23,25);1H