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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C24H23N5O4S MolecularWeight: 477.53552

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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)CC4=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O4S/c30-23(21-16-20(29(31)32)5-6-22(21)28-11-13-33-14-12-28)27-24(34)26-19-3-1-17(2-4-19)15-18-7-9-25-10-8-18/h1-10,16H,11-15H2,(H2,26,27,30,34)