N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C21H18FN5O4S MolecularWeight: 455.462123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])F

InChI

InChI=1S/C21H18FN5O4S/c1-11(28)23-14-5-6-15(16(22)9-14)18-10-32-21(25-18)26-20(29)12-2-7-17(24-13-3-4-13)19(8-12)27(30)31/h2,5-10,13,24H,3-4H2,1H3,(H,23,28)(H,25,26,29)