N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C25H20FN5O5S MolecularWeight: 521.520203

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H20FN5O5S/c26-16-3-1-2-15(12-16)24-28-20-13-17(4-7-22(20)36-24)27-25(37)29-23(32)19-14-18(31(33)34)5-6-21(19)30-8-10-35-11-9-30/h1-7,12-14H,8-11H2,(H2,27,29,32,37)