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

Systemtic Name: methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(4-fluorobenzyl)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)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H17FN2O2S/c1-11-3-6-13(16(21)22-2)9-15(11)20-17(23)19-10-12-4-7-14(18)8-5-12/h3-9H,10H2,1-2H3,(H2,19,20,23)