3-bromanyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C19H19BrFN3O4S MolecularWeight: 484.339263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Br

InChI

InChI=1S/C19H19BrFN3O4S/c1-11(2)7-8-28-17-6-3-12(9-14(17)20)18(25)23-19(29)22-16-10-13(24(26)27)4-5-15(16)21/h3-6,9-11H,7-8H2,1-2H3,(H2,22,23,25,29)