methyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C25H22ClN3O5S MolecularWeight: 511.97728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)OC3=CC=CC=C3Cl

InChI

InChI=1S/C25H22ClN3O5S/c1-15(34-21-6-4-3-5-20(21)26)22(30)27-18-11-13-19(14-12-18)28-25(35)29-23(31)16-7-9-17(10-8-16)24(32)33-2/h3-15H,1-2H3,(H,27,30)(H2,28,29,31,35)