5-[[2-(dipropylamino)phenyl]sulfanylmethyl]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[[2-(dipropylamino)phenyl]sulfanylmethyl]-2-(propanoylamino)benzoic acid Openeye Name: 5-[[2-(dipropylamino)phenyl]sulfanylmethyl]-2-(propanoylamino)benzoic acid CAS Name: 5-[[[2-(dipropylamino)phenyl]thio]methyl]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[[2-(dipropylamino)phenyl]sulfanylmethyl]-2-(propanoylamino)benzoic acid Traditional Name: 5-[[[2-(dipropylamino)phenyl]thio]methyl]-2-propionamido-benzoic acid Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC=CC=C1SCC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

Isomeric SMILES

CCCN(CCC)C1=CC=CC=C1SCC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

InChI

InChI=1S/C23H30N2O3S/c1-4-13-25(14-5-2)20-9-7-8-10-21(20)29-16-17-11-12-19(24-22(26)6-3)18(15-17)23(27)28/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,26)(H,27,28)