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

Systemtic Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-ethoxy-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-ethoxy-thiazole-4-carboxamide CAS Name: 2-[[[(3,4-dichloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-ethoxy-4-thiazolecarboxamide IUPAC Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-ethoxy-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-ethoxy-thiazole-4-carboxamide Formula: C17H20Cl2N4O3S MolecularWeight: 431.3367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20Cl2N4O3S/c1-4-26-22-16(24)14-9-27-15(21-14)8-23(10(2)3)17(25)20-11-5-6-12(18)13(19)7-11/h5-7,9-10H,4,8H2,1-3H3,(H,20,25)(H,22,24)