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

Systemtic Name: ethyl 2-[[(3-chloranyl-4-methyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-methylanilino)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-chloro-4-methylphenyl)carbamoyl-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-3-28-20(26)18-13-29-19(24-18)12-25(16-7-5-4-6-8-16)21(27)23-15-10-9-14(2)17(22)11-15/h9-11,13,16H,3-8,12H2,1-2H3,(H,23,27)