N-morpholin-4-ylcarbothioyl-3-nitro-benzamide

Systemtic Name: N-morpholin-4-ylcarbothioyl-3-nitro-benzamide Openeye Name: N-(morpholine-4-carbothioyl)-3-nitro-benzamide CAS Name: N-[4-morpholinyl(sulfanylidene)methyl]-3-nitrobenzamide IUPAC Name: N-(morpholine-4-carbothioyl)-3-nitrobenzamide Traditional Name: N-(morpholine-4-carbothioyl)-3-nitro-benzamide Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c16-11(9-2-1-3-10(8-9)15(17)18)13-12(20)14-4-6-19-7-5-14/h1-3,8H,4-7H2,(H,13,16,20)