2-[[(4-bromophenyl)carbonyl-butyl-amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-bromophenyl)carbonyl-butyl-amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-bromobenzoyl)-butyl-amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: 2-[[[(4-bromophenyl)-oxomethyl]-butylamino]methyl]-N-butyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-bromobenzoyl)-butylamino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-bromobenzoyl)-butyl-amino]methyl]-N-butyl-thiazole-4-carboxamide Formula: C20H26BrN3O2S MolecularWeight: 452.40834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H26BrN3O2S/c1-3-5-11-22-19(25)17-14-27-18(23-17)13-24(12-6-4-2)20(26)15-7-9-16(21)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H,22,25)