[4-[4-(2-methyl-2-sulfanyl-propyl)piperazin-1-yl]carbonylphenyl] ethanoate

Systemtic Name: [4-[4-(2-methyl-2-sulfanyl-propyl)piperazin-1-yl]carbonylphenyl] ethanoate Openeye Name: [4-[4-(2-methyl-2-sulfanyl-propyl)piperazine-1-carbonyl]phenyl] acetate CAS Name: acetic acid [4-[[4-(2-mercapto-2-methylpropyl)-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(2-methyl-2-sulfanylpropyl)piperazine-1-carbonyl]phenyl] acetate Traditional Name: acetic acid [4-[4-(2-mercapto-2-methyl-propyl)piperazine-1-carbonyl]phenyl] ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(C)(C)S

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(C)(C)S

InChI

InChI=1S/C17H24N2O3S/c1-13(20)22-15-6-4-14(5-7-15)16(21)19-10-8-18(9-11-19)12-17(2,3)23/h4-7,23H,8-12H2,1-3H3