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

Systemtic Name: methyl 3-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-4-(4-fluorophenyl)sulfanyl-benzoate Openeye Name: methyl 3-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-4-(4-fluorophenyl)sulfanyl-benzoate CAS Name: 3-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-4-[(4-fluorophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-methylphenyl)carbamothioylamino]-4-(4-fluorophenyl)sulfanylbenzoate Traditional Name: 3-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-4-[(4-fluorophenyl)thio]benzoic acid methyl ester Formula: C22H18ClFN2O2S2 MolecularWeight: 460.971923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)SC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)SC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C22H18ClFN2O2S2/c1-13-3-7-16(12-18(13)23)25-22(29)26-19-11-14(21(27)28-2)4-10-20(19)30-17-8-5-15(24)6-9-17/h3-12H,1-2H3,(H2,25,26,29)