3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-21(2,3)12-18(24)22-16-8-5-9-17(11-16)28-13-19(25)23-15-7-4-6-14(10-15)20(26)27/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)