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

Systemtic Name: 2-[[6-(quinolin-3-ylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-(3-quinolylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[oxo-(3-quinolinylamino)methyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-(quinolin-3-ylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(3-quinolylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid Formula: C25H21N3O3S MolecularWeight: 443.51754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC5=CC=CC=C5N=C4)C(=C2C1)SCC(=O)O

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC5=CC=CC=C5N=C4)C(=C2C1)SCC(=O)O

InChI

InChI=1S/C25H21N3O3S/c29-23(30)14-32-24-18-6-2-4-8-21(18)28-22-12-16(9-10-19(22)24)25(31)27-17-11-15-5-1-3-7-20(15)26-13-17/h1,3,5,7,9-13H,2,4,6,8,14H2,(H,27,31)(H,29,30)