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

Systemtic Name: O-[1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] N-(4-chlorophenyl)carbamothioate Openeye Name: O-[1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] N-(4-chlorophenyl)carbamothioate CAS Name: N-(4-chlorophenyl)carbamothioic acid O-[1-(2,4-dimethylphenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: O-[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl] N-(4-chlorophenyl)carbamothioate Traditional Name: N-(4-chlorophenyl)thiocarbamic acid O-[1-(2,4-dimethylphenyl)-2-imidazol-1-yl-ethyl] ester Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CN2C=CN=C2)OC(=S)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(CN2C=CN=C2)OC(=S)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H20ClN3OS/c1-14-3-8-18(15(2)11-14)19(12-24-10-9-22-13-24)25-20(26)23-17-6-4-16(21)5-7-17/h3-11,13,19H,12H2,1-2H3,(H,23,26)