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

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Formula: C19H16FN5O4S MolecularWeight: 429.424843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN5O4S/c1-10(26)22-11-3-5-13(15(20)7-11)17-9-30-19(23-17)24-18(27)14-8-12(25(28)29)4-6-16(14)21-2/h3-9,21H,1-2H3,(H,22,26)(H,23,24,27)