methyl 3-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-(4-chlorophenyl)sulfanyl-benzoate

Systemtic Name: methyl 3-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-(4-chlorophenyl)sulfanyl-benzoate Openeye Name: methyl 3-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-4-(4-chlorophenyl)sulfanyl-benzoate CAS Name: 3-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-4-[(4-chlorophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-4-(4-chlorophenyl)sulfanylbenzoate Traditional Name: 3-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-4-[(4-chlorophenyl)thio]benzoic acid methyl ester Formula: C22H18Cl2N2O3S2 MolecularWeight: 493.42592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)SC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)SC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2O3S2/c1-28-19-9-6-15(12-17(19)24)25-22(30)26-18-11-13(21(27)29-2)3-10-20(18)31-16-7-4-14(23)5-8-16/h3-12H,1-2H3,(H2,25,26,30)