4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]benzoic acid CAS Name: 4-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]benzoic acid IUPAC Name: 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]benzoic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C

InChI

InChI=1S/C23H24N2O3S/c1-5-19(22(26)24-17-8-6-16(7-9-17)23(27)28)29-20-12-14(3)18-11-13(2)10-15(4)21(18)25-20/h6-12,19H,5H2,1-4H3,(H,24,26)(H,27,28)