4-[2-[4-(4-bromanylphenoxy)butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[4-(4-bromanylphenoxy)butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[4-(4-bromophenoxy)butanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[4-(4-bromophenoxy)-1-oxobutyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[4-(4-bromophenoxy)butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[4-(4-bromophenoxy)butanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C18H17BrN4O3S MolecularWeight: 449.32158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCC(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)Br

Isomeric SMILES

C1=CC(=CC=C1OCCCC(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)Br

InChI

InChI=1S/C18H17BrN4O3S/c19-12-3-5-13(6-4-12)26-7-1-2-16(24)23-18-22-15(10-27-18)11-8-14(17(20)25)21-9-11/h3-6,8-10,21H,1-2,7H2,(H2,20,25)(H,22,23,24)