2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(2-chloro-4-nitro-benzoyl)-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(2-chloro-4-nitrobenzoyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(2-chloro-4-nitro-benzoyl)-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN4O4S/c1-3-7-20-17(24)15-11-28-16(21-15)10-22(8-4-2)18(25)13-6-5-12(23(26)27)9-14(13)19/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,20,24)