5-[[3-(dipropylamino)phenyl]sulfanylmethyl]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[[3-(dipropylamino)phenyl]sulfanylmethyl]-2-(propanoylamino)benzoic acid Openeye Name: 5-[[3-(dipropylamino)phenyl]sulfanylmethyl]-2-(propanoylamino)benzoic acid CAS Name: 5-[[[3-(dipropylamino)phenyl]thio]methyl]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[[3-(dipropylamino)phenyl]sulfanylmethyl]-2-(propanoylamino)benzoic acid Traditional Name: 5-[[[3-(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=C1)SCC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

Isomeric SMILES

CCCN(CCC)C1=CC(=CC=C1)SCC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

InChI

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