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

Systemtic Name: 2-[[(3-bromophenyl)carbamoyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3-bromophenyl)carbamoyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[(3-bromoanilino)-oxomethyl]-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(3-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3-bromophenyl)carbamoyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C18H23BrN4O2S MolecularWeight: 439.36982

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H23BrN4O2S/c1-3-8-20-17(24)15-12-26-16(22-15)11-23(9-4-2)18(25)21-14-7-5-6-13(19)10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,20,24)(H,21,25)