2-[[6-(4-phenylpiperazin-1-yl)carbonyl-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-(4-phenylpiperazin-1-yl)carbonyl-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[oxo-(4-phenyl-1-piperazinyl)methyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C(=C2C1)SCC(=O)O

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C(=C2C1)SCC(=O)O

InChI

InChI=1S/C26H27N3O3S/c30-24(31)17-33-25-20-8-4-5-9-22(20)27-23-16-18(10-11-21(23)25)26(32)29-14-12-28(13-15-29)19-6-2-1-3-7-19/h1-3,6-7,10-11,16H,4-5,8-9,12-15,17H2,(H,30,31)