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

Systemtic Name: methyl 2-[[cyclohexyl-[(phenylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[benzylcarbamoyl(cyclohexyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[benzylcarbamoyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[benzylcarbamoyl(cyclohexyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-26-19(24)17-14-27-18(22-17)13-23(16-10-6-3-7-11-16)20(25)21-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,21,25)