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

Systemtic Name: ethyl 2-[[(4-butylphenyl)carbonyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-butylbenzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butylphenyl)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-butylbenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butylbenzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C24H32N2O3S MolecularWeight: 428.58748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CCCCC3

InChI

InChI=1S/C24H32N2O3S/c1-3-5-9-18-12-14-19(15-13-18)23(27)26(20-10-7-6-8-11-20)16-22-25-21(17-30-22)24(28)29-4-2/h12-15,17,20H,3-11,16H2,1-2H3