N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C21H24FN3O4S/c1-2-3-4-5-6-13-29-17-10-7-15(8-11-17)20(26)24-21(30)23-19-14-16(25(27)28)9-12-18(19)22/h7-12,14H,2-6,13H2,1H3,(H2,23,24,26,30)