2-morpholin-4-yl-5-nitro-N-(pyridin-3-ylcarbamothioyl)benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-(pyridin-3-ylcarbamothioyl)benzamide Openeye Name: 2-morpholino-5-nitro-N-(3-pyridylcarbamothioyl)benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[(3-pyridinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-(pyridin-3-ylcarbamothioyl)benzamide Traditional Name: 2-morpholino-5-nitro-N-(3-pyridylthiocarbamoyl)benzamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O4S/c23-16(20-17(27)19-12-2-1-5-18-11-12)14-10-13(22(24)25)3-4-15(14)21-6-8-26-9-7-21/h1-5,10-11H,6-9H2,(H2,19,20,23,27)