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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3)C

InChI

InChI=1S/C21H27N3O3S/c1-14-9-10-17(15(2)11-14)23-21(26)24(16-7-5-4-6-8-16)12-19-22-18(13-28-19)20(25)27-3/h9-11,13,16H,4-8,12H2,1-3H3,(H,23,26)