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

Systemtic Name: 2-chloranyl-5-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20ClN3O4S2 MolecularWeight: 502.0056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H20ClN3O4S2/c1-31-20-8-3-2-7-19(20)27-23(32)26-14-5-4-6-16(11-14)33-13-21(28)25-15-9-10-18(24)17(12-15)22(29)30/h2-12H,13H2,1H3,(H,25,28)(H,29,30)(H2,26,27,32)