2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[[(2,6-dimethylanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N(CC2=NC(=CS2)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(CC2=NC(=CS2)C(=O)O)C(C)C

InChI

InChI=1S/C17H21N3O3S/c1-10(2)20(8-14-18-13(9-24-14)16(21)22)17(23)19-15-11(3)6-5-7-12(15)4/h5-7,9-10H,8H2,1-4H3,(H,19,23)(H,21,22)