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

Systemtic Name: methyl 2-[[(4-butylphenyl)carbonyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-butylbenzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butylphenyl)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-butylbenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butylbenzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-3-4-8-17-11-13-18(14-12-17)22(26)25(19-9-6-5-7-10-19)15-21-24-20(16-29-21)23(27)28-2/h11-14,16,19H,3-10,15H2,1-2H3