N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Formula: C18H15BrN4O4S MolecularWeight: 463.3051

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H15BrN4O4S/c1-20-14-5-4-11(23(25)26)8-12(14)17(24)22-18-21-15(9-28-18)10-3-6-16(27-2)13(19)7-10/h3-9,20H,1-2H3,(H,21,22,24)