3,5-diethoxy-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-diethoxy-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,5-diethoxy-N-[(4-fluoro-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,5-diethoxy-N-[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-diethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,5-diethoxy-N-[(4-fluoro-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O5S/c1-3-26-13-7-11(8-14(10-13)27-4-2)17(23)21-18(28)20-12-5-6-15(19)16(9-12)22(24)25/h5-10H,3-4H2,1-2H3,(H2,20,21,23,28)