N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C22H15FN4O4S MolecularWeight: 450.442303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H15FN4O4S/c1-12-16(6-3-7-18(12)27(29)30)20(28)26-22(32)24-15-8-9-19-17(11-15)25-21(31-19)13-4-2-5-14(23)10-13/h2-11H,1H3,(H2,24,26,28,32)