N-(5-bromanyl-4-phenyl-1,3-thiazol-2-yl)-2-[(2-cyano-4-ethyl-3-nitro-phenyl)methylamino]ethanamide

Systemtic Name: N-(5-bromanyl-4-phenyl-1,3-thiazol-2-yl)-2-[(2-cyano-4-ethyl-3-nitro-phenyl)methylamino]ethanamide Openeye Name: N-(5-bromo-4-phenyl-thiazol-2-yl)-2-[(2-cyano-4-ethyl-3-nitro-phenyl)methylamino]acetamide CAS Name: N-(5-bromo-4-phenyl-2-thiazolyl)-2-[(2-cyano-4-ethyl-3-nitrophenyl)methylamino]acetamide IUPAC Name: N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-2-[(2-cyano-4-ethyl-3-nitrophenyl)methylamino]acetamide Traditional Name: N-(5-bromo-4-phenyl-thiazol-2-yl)-2-[(2-cyano-4-ethyl-3-nitro-benzyl)amino]acetamide Formula: C21H18BrN5O3S MolecularWeight: 500.36832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)CNCC(=O)NC2=NC(=C(S2)Br)C3=CC=CC=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)CNCC(=O)NC2=NC(=C(S2)Br)C3=CC=CC=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H18BrN5O3S/c1-2-13-8-9-15(16(10-23)19(13)27(29)30)11-24-12-17(28)25-21-26-18(20(22)31-21)14-6-4-3-5-7-14/h3-9,24H,2,11-12H2,1H3,(H,25,26,28)