methyl 3-[(3-fluorophenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(3-fluorophenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(3-fluorophenyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[(3-fluoroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(3-fluorophenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(3-fluorophenyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C16H15FN2O2S MolecularWeight: 318.365903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O2S/c1-10-6-7-11(15(20)21-2)8-14(10)19-16(22)18-13-5-3-4-12(17)9-13/h3-9H,1-2H3,(H2,18,19,22)