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

Systemtic Name: methyl 2-[[cyclohexyl-(4-hexylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[cyclohexyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[(4-hexylphenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-(4-hexylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C25H34N2O3S MolecularWeight: 442.61406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C25H34N2O3S/c1-3-4-5-7-10-19-13-15-20(16-14-19)24(28)27(21-11-8-6-9-12-21)17-23-26-22(18-31-23)25(29)30-2/h13-16,18,21H,3-12,17H2,1-2H3