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

Systemtic Name: 2-[[(4-bromophenyl)carbamoyl-butyl-amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-bromophenyl)carbamoyl-butyl-amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: 2-[[[(4-bromoanilino)-oxomethyl]-butylamino]methyl]-N-butyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-bromophenyl)carbamoyl-butylamino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-bromophenyl)carbamoyl-butyl-amino]methyl]-N-butyl-thiazole-4-carboxamide Formula: C20H27BrN4O2S MolecularWeight: 467.42298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H27BrN4O2S/c1-3-5-11-22-19(26)17-14-28-18(24-17)13-25(12-6-4-2)20(27)23-16-9-7-15(21)8-10-16/h7-10,14H,3-6,11-13H2,1-2H3,(H,22,26)(H,23,27)