methyl 3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(3-fluoro-4-methylphenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O2S/c1-10-5-7-13(9-14(10)18)19-17(23)20-15-8-12(16(21)22-3)6-4-11(15)2/h4-9H,1-3H3,(H2,19,20,23)