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

Systemtic Name: ethyl 2-[[cyclohexyl-[(phenylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[benzylcarbamoyl(cyclohexyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[benzylcarbamoyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[benzylcarbamoyl(cyclohexyl)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)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-2-27-20(25)18-15-28-19(23-18)14-24(17-11-7-4-8-12-17)21(26)22-13-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3,(H,22,26)