O-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl] N-(2-fluorophenyl)carbamothioate

Systemtic Name: O-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl] N-(2-fluorophenyl)carbamothioate Openeye Name: O-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl] N-(2-fluorophenyl)carbamothioate CAS Name: N-(2-fluorophenyl)carbamothioic acid O-[4-[(3,4-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl] N-(2-fluorophenyl)carbamothioate Traditional Name: N-(2-fluorophenyl)thiocarbamic acid O-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl] ester Formula: C22H19FN2O2S MolecularWeight: 394.461863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=S)NC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=S)NC3=CC=CC=C3F)C

InChI

InChI=1S/C22H19FN2O2S/c1-14-7-10-17(13-15(14)2)24-21(26)16-8-11-18(12-9-16)27-22(28)25-20-6-4-3-5-19(20)23/h3-13H,1-2H3,(H,24,26)(H,25,28)