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

Systemtic Name: methyl 2-[[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[(4-ethylanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-[(4-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=C(C=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3

InChI

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