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

Systemtic Name: S-[[4-[(4-propan-2-ylphenyl)carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride Openeye Name: S-[[4-[(4-isopropylphenyl)carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride CAS Name: 1-piperazinecarbothioic acid S-[[4-[oxo-(4-propan-2-ylanilino)methoxy]phenyl]methyl] ester hydrochloride IUPAC Name: S-[[4-[(4-propan-2-ylphenyl)carbamoyloxy]phenyl]methyl] piperazine-1-carbothioate hydrochloride Traditional Name: piperazine-1-carbothioic acid S-[4-(p-cumenylcarbamoyloxy)benzyl] ester hydrochloride Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S.ClH/c1-16(2)18-5-7-19(8-6-18)24-21(26)28-20-9-3-17(4-10-20)15-29-22(27)25-13-11-23-12-14-25;/h3-10,16,23H,11-15H2,1-2H3,(H,24,26);1H