2-morpholin-4-yl-5-nitro-N-[[4-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[4-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[4-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[[4-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C26H25N5O5S MolecularWeight: 519.5722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O5S/c32-24(16-18-4-2-1-3-5-18)27-19-6-8-20(9-7-19)28-26(37)29-25(33)22-17-21(31(34)35)10-11-23(22)30-12-14-36-15-13-30/h1-11,17H,12-16H2,(H,27,32)(H2,28,29,33,37)