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

Systemtic Name: methyl 2-[[(3-chlorophenyl)carbamoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-chlorophenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloroanilino)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-chlorophenyl)carbamoyl-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chlorophenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3S/c1-26-18(24)16-12-27-17(22-16)11-23(15-8-3-2-4-9-15)19(25)21-14-7-5-6-13(20)10-14/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H,21,25)