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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3

InChI

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