methyl 2-[[(4-ethoxyphenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-ethoxyphenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-ethoxyphenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-ethoxyanilino)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-ethoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl(p-phenetylcarbamoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C20H27N3O4S/c1-4-6-7-12-23(13-18-22-17(14-28-18)19(24)26-3)20(25)21-15-8-10-16(11-9-15)27-5-2/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,25)