[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C21H20ClN3O3S/c1-14(19(26)23-12-15-8-10-16(22)11-9-15)28-20(27)18-13-24-21(29-2)25(18)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,23,26)