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

Systemtic Name: 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbothioylphenoxy]ethanoic acid Openeye Name: 2-[4-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]phenoxy]acetic acid CAS Name: 2-[4-[[4-(4-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]phenoxy]acetic acid Traditional Name: 2-[4-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]phenoxy]acetic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-25-17-8-4-16(5-9-17)21-10-12-22(13-11-21)20(27)15-2-6-18(7-3-15)26-14-19(23)24/h2-9H,10-14H2,1H3,(H,23,24)