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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H24BrN3O3S/c1-3-5-6-11-23(19(25)21-15-9-7-14(20)8-10-15)12-17-22-16(13-27-17)18(24)26-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,25)