2-chloranyl-5-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 5-[[2-[[4-[[anilino(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 2-chloro-5-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[4-(phenylcarbamoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C23H20ClN3O4S MolecularWeight: 469.9406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H20ClN3O4S/c1-14(21(28)25-17-9-12-20(24)19(13-17)22(29)30)32-18-10-7-16(8-11-18)27-23(31)26-15-5-3-2-4-6-15/h2-14H,1H3,(H,25,28)(H,29,30)(H2,26,27,31)