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

Systemtic Name: ethyl 2-[[(3,4-dimethylphenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3,4-dimethylphenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3,4-dimethylanilino)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3,4-dimethylphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-5-7-8-11-24(13-19-23-18(14-28-19)20(25)27-6-2)21(26)22-17-10-9-15(3)16(4)12-17/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,22,26)