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

Systemtic Name: 4-chloranyl-N-morpholin-4-ylcarbothioyl-3-nitro-benzamide Openeye Name: 4-chloro-N-(morpholine-4-carbothioyl)-3-nitro-benzamide CAS Name: 4-chloro-N-[4-morpholinyl(sulfanylidene)methyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-(morpholine-4-carbothioyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(morpholine-4-carbothioyl)-3-nitro-benzamide Formula: C12H12ClN3O4S MolecularWeight: 329.75938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O4S/c13-9-2-1-8(7-10(9)16(18)19)11(17)14-12(21)15-3-5-20-6-4-15/h1-2,7H,3-6H2,(H,14,17,21)