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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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