methyl 3-[[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]carbamoyl]benzoate Openeye Name: methyl 3-[[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]carbamoyl]benzoate CAS Name: 3-[[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]carbamoyl]benzoate Traditional Name: 3-[[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]carbamoyl]benzoic acid methyl ester Formula: C24H22ClN3O5S MolecularWeight: 499.96658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(=O)OC)Cl)OC

InChI

InChI=1S/C24H22ClN3O5S/c1-31-20-13-21(32-2)19(12-18(20)25)28-24(34)27-17-9-7-16(8-10-17)26-22(29)14-5-4-6-15(11-14)23(30)33-3/h4-13H,1-3H3,(H,26,29)(H2,27,28,34)