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

Systemtic Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[(3-butyramidophenyl)thio]propanoylamino]-4-chloro-benzoic acid Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-3-5-18(24)22-14-6-4-7-15(11-14)28-12(2)19(25)23-17-10-13(20(26)27)8-9-16(17)21/h4,6-12H,3,5H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)