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

Systemtic Name: ethyl 2-[[(4-bromophenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-bromophenyl)carbamoyl-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-bromoanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-bromophenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-bromophenyl)carbamoyl-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H24BrN3O3S MolecularWeight: 454.38116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O3S/c1-4-26-18(24)16-12-27-17(22-16)11-23(10-9-13(2)3)19(25)21-15-7-5-14(20)6-8-15/h5-8,12-13H,4,9-11H2,1-3H3,(H,21,25)