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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 2-morpholino-5-nitro-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 2-morpholino-5-nitro-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C18H19N5O4S/c24-17(21-18(28)20-12-13-2-1-5-19-11-13)15-10-14(23(25)26)3-4-16(15)22-6-8-27-9-7-22/h1-5,10-11H,6-9,12H2,(H2,20,21,24,28)