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

Systemtic Name: methyl 2-[[(2,4-dimethylphenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(2,4-dimethylphenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2,4-dimethylanilino)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2,4-dimethylphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-5-6-7-10-23(12-18-21-17(13-27-18)19(24)26-4)20(25)22-16-9-8-14(2)11-15(16)3/h8-9,11,13H,5-7,10,12H2,1-4H3,(H,22,25)