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

Systemtic Name: 2-[[(3-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[[(3-chloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=CS1)C(=O)O)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)N(CC1=NC(=CS1)C(=O)O)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H16ClN3O3S/c1-9(2)19(7-13-18-12(8-23-13)14(20)21)15(22)17-11-5-3-4-10(16)6-11/h3-6,8-9H,7H2,1-2H3,(H,17,22)(H,20,21)