O-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] N-(2,4-dimethylphenyl)carbamothioate

Systemtic Name: O-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] N-(2,4-dimethylphenyl)carbamothioate Openeye Name: O-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] N-(2,4-dimethylphenyl)carbamothioate CAS Name: N-(2,4-dimethylphenyl)carbamothioic acid O-[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] N-(2,4-dimethylphenyl)carbamothioate Traditional Name: N-(2,4-dimethylphenyl)thiocarbamic acid O-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C20H19Cl2N3OS MolecularWeight: 420.35536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)OC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)OC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C20H19Cl2N3OS/c1-13-3-6-18(14(2)9-13)24-20(27)26-19(11-25-8-7-23-12-25)16-5-4-15(21)10-17(16)22/h3-10,12,19H,11H2,1-2H3,(H,24,27)