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

Systemtic Name: 2-[[6-(butan-2-ylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-(sec-butylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[(butan-2-ylamino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-(butan-2-ylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(sec-butylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=C3CCCCC3=N2)SCC(=O)O

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=C3CCCCC3=N2)SCC(=O)O

InChI

InChI=1S/C20H24N2O3S/c1-3-12(2)21-20(25)13-8-9-15-17(10-13)22-16-7-5-4-6-14(16)19(15)26-11-18(23)24/h8-10,12H,3-7,11H2,1-2H3,(H,21,25)(H,23,24)