4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[(3-butyramidophenyl)thio]butanoylamino]benzoic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-3-6-19(24)22-16-7-5-8-17(13-16)28-18(4-2)20(25)23-15-11-9-14(10-12-15)21(26)27/h5,7-13,18H,3-4,6H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)