methyl 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-chloro-4-fluorophenyl)carbamoyl-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C19H21ClFN3O3S MolecularWeight: 425.904743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3O3S/c1-27-18(25)16-11-28-17(23-16)10-24(13-5-3-2-4-6-13)19(26)22-12-7-8-15(21)14(20)9-12/h7-9,11,13H,2-6,10H2,1H3,(H,22,26)