ethyl 2-[[(4-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(4-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-bromophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-bromoanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-bromophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-bromophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-4-24-16(22)14-10-25-15(20-14)9-21(11(2)3)17(23)19-13-7-5-12(18)6-8-13/h5-8,10-11H,4,9H2,1-3H3,(H,19,23)