N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H16FN3O4S MolecularWeight: 425.432843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H16FN3O4S/c22-18-10-9-16(25(27)28)12-19(18)23-21(30)24-20(26)15-7-4-8-17(11-15)29-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,23,24,26,30)