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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC2=NC(=CS2)C(=O)O)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC2=NC(=CS2)C(=O)O)C(C)C

InChI

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