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

Systemtic Name: O-[4-[(3-bromophenyl)carbamoyl]phenyl] N-(2,3-dimethylphenyl)carbamothioate Openeye Name: O-[4-[(3-bromophenyl)carbamoyl]phenyl] N-(2,3-dimethylphenyl)carbamothioate CAS Name: N-(2,3-dimethylphenyl)carbamothioic acid O-[4-[(3-bromoanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(3-bromophenyl)carbamoyl]phenyl] N-(2,3-dimethylphenyl)carbamothioate Traditional Name: N-(2,3-dimethylphenyl)thiocarbamic acid O-[4-[(3-bromophenyl)carbamoyl]phenyl] ester Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C22H19BrN2O2S/c1-14-5-3-8-20(15(14)2)25-22(28)27-19-11-9-16(10-12-19)21(26)24-18-7-4-6-17(23)13-18/h3-13H,1-2H3,(H,24,26)(H,25,28)