2-[4-(4-methoxyphenyl)piperazin-1-yl]carbothioylsulfanylethanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]carbothioylsulfanylethanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]sulfanylacetic acid CAS Name: 2-[[[4-(4-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]sulfanylacetic acid Traditional Name: 2-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]thio]acetic acid Formula: C14H18N2O3S2 MolecularWeight: 326.43432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)SCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)SCC(=O)O

InChI

InChI=1S/C14H18N2O3S2/c1-19-12-4-2-11(3-5-12)15-6-8-16(9-7-15)14(20)21-10-13(17)18/h2-5H,6-10H2,1H3,(H,17,18)