2-[2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(4-tert-butylbenzyl)piperazino]-2-keto-ethyl]thio]acetic acid Formula: C19H28N2O3S MolecularWeight: 364.50222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSCC(=O)O

InChI

InChI=1S/C19H28N2O3S/c1-19(2,3)16-6-4-15(5-7-16)12-20-8-10-21(11-9-20)17(22)13-25-14-18(23)24/h4-7H,8-14H2,1-3H3,(H,23,24)