methyl 3-[(3,4-dichlorophenyl)carbamoylamino]-4-(4-fluorophenyl)sulfanyl-benzoate

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)carbamoylamino]-4-(4-fluorophenyl)sulfanyl-benzoate Openeye Name: methyl 3-[(3,4-dichlorophenyl)carbamoylamino]-4-(4-fluorophenyl)sulfanyl-benzoate CAS Name: 3-[[(3,4-dichloroanilino)-oxomethyl]amino]-4-[(4-fluorophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)carbamoylamino]-4-(4-fluorophenyl)sulfanylbenzoate Traditional Name: 3-[(3,4-dichlorophenyl)carbamoylamino]-4-[(4-fluorophenyl)thio]benzoic acid methyl ester Formula: C21H15Cl2FN2O3S MolecularWeight: 465.324803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H15Cl2FN2O3S/c1-29-20(27)12-2-9-19(30-15-6-3-13(24)4-7-15)18(10-12)26-21(28)25-14-5-8-16(22)17(23)11-14/h2-11H,1H3,(H2,25,26,28)