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

Systemtic Name: methyl 2-[[cyclohexyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[cyclohexyl-[(2-fluorophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[(2-fluoroanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-[(2-fluorophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C19H22FN3O3S/c1-26-18(24)16-12-27-17(21-16)11-23(13-7-3-2-4-8-13)19(25)22-15-10-6-5-9-14(15)20/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,22,25)