N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C24H20FN7O4S MolecularWeight: 521.523503

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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=NN(N=C4C=C3)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H20FN7O4S/c25-15-1-4-17(5-2-15)31-28-20-7-3-16(13-21(20)29-31)26-24(37)27-23(33)19-14-18(32(34)35)6-8-22(19)30-9-11-36-12-10-30/h1-8,13-14H,9-12H2,(H2,26,27,33,37)