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

Systemtic Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[[(3,4-dichloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid Formula: C15H15Cl2N3O3S MolecularWeight: 388.2689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15Cl2N3O3S/c1-8(2)20(6-13-19-12(7-24-13)14(21)22)15(23)18-9-3-4-10(16)11(17)5-9/h3-5,7-8H,6H2,1-2H3,(H,18,23)(H,21,22)