2-chloranyl-5-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20ClN3O3S2 MolecularWeight: 486.0062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H20ClN3O3S2/c1-14-5-7-15(8-6-14)26-23(31)27-16-3-2-4-18(11-16)32-13-21(28)25-17-9-10-20(24)19(12-17)22(29)30/h2-12H,13H2,1H3,(H,25,28)(H,29,30)(H2,26,27,31)