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

Systemtic Name: O-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] N-(4-methylphenyl)carbamothioate Openeye Name: O-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] N-(p-tolyl)carbamothioate CAS Name: N-(4-methylphenyl)carbamothioic acid O-[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] N-(4-methylphenyl)carbamothioate Traditional Name: N-(p-tolyl)thiocarbamic acid O-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C19H17Cl2N3OS MolecularWeight: 406.32878

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2N3OS/c1-13-2-5-15(6-3-13)23-19(26)25-18(11-24-9-8-22-12-24)16-7-4-14(20)10-17(16)21/h2-10,12,18H,11H2,1H3,(H,23,26)