2-[[(3-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-ethoxy-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(3-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-ethoxy-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-ethoxy-thiazole-4-carboxamide CAS Name: 2-[[[(3-chloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-ethoxy-4-thiazolecarboxamide IUPAC Name: 2-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-ethoxy-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-ethoxy-thiazole-4-carboxamide Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCONC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H21ClN4O3S/c1-4-25-21-16(23)14-10-26-15(20-14)9-22(11(2)3)17(24)19-13-7-5-6-12(18)8-13/h5-8,10-11H,4,9H2,1-3H3,(H,19,24)(H,21,23)