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

Systemtic Name: ethyl 2-[[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclohexyl(m-tolylcarbamoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[(3-methylanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl(m-tolylcarbamoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-3-27-20(25)18-14-28-19(23-18)13-24(17-10-5-4-6-11-17)21(26)22-16-9-7-8-15(2)12-16/h7-9,12,14,17H,3-6,10-11,13H2,1-2H3,(H,22,26)