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

Systemtic Name: 4-chloranyl-3-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20ClN3O4S2 MolecularWeight: 502.0056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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