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

Systemtic Name: O-[4-[(2,3-dimethylphenyl)carbamoyl]phenyl] N-(4-iodophenyl)carbamothioate Openeye Name: O-[4-[(2,3-dimethylphenyl)carbamoyl]phenyl] N-(4-iodophenyl)carbamothioate CAS Name: N-(4-iodophenyl)carbamothioic acid O-[4-[(2,3-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(2,3-dimethylphenyl)carbamoyl]phenyl] N-(4-iodophenyl)carbamothioate Traditional Name: N-(4-iodophenyl)thiocarbamic acid O-[4-[(2,3-dimethylphenyl)carbamoyl]phenyl] ester Formula: C22H19IN2O2S MolecularWeight: 502.36793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)OC(=S)NC3=CC=C(C=C3)I)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)OC(=S)NC3=CC=C(C=C3)I)C

InChI

InChI=1S/C22H19IN2O2S/c1-14-4-3-5-20(15(14)2)25-21(26)16-6-12-19(13-7-16)27-22(28)24-18-10-8-17(23)9-11-18/h3-13H,1-2H3,(H,24,28)(H,25,26)