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

Systemtic Name: methyl 2-[[(4-bromophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-bromophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-bromoanilino)-oxomethyl]-(3-methoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-bromophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-bromophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

COCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O4S/c1-24-9-3-8-21(10-15-20-14(11-26-15)16(22)25-2)17(23)19-13-6-4-12(18)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,19,23)