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

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C22H18FN3O5S MolecularWeight: 455.458823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C22H18FN3O5S/c23-19-11-8-16(26(28)29)14-20(19)24-22(32)25-21(27)15-6-9-18(10-7-15)31-13-12-30-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H2,24,25,27,32)