2-[2-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]carbothioyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]carbothioyl-phenoxy]ethanoic acid Openeye Name: 2-[2-methoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]acetic acid IUPAC Name: 2-[2-methoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]phenoxy]acetic acid Traditional Name: 2-[2-methoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]phenoxy]acetic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-26-17-6-4-16(5-7-17)22-9-11-23(12-10-22)21(29)15-3-8-18(19(13-15)27-2)28-14-20(24)25/h3-8,13H,9-12,14H2,1-2H3,(H,24,25)