3-nitro-N-[2,2,2-tris(chloranyl)-1-(morpholin-4-ylcarbothioylamino)ethyl]benzamide

Systemtic Name: 3-nitro-N-[2,2,2-tris(chloranyl)-1-(morpholin-4-ylcarbothioylamino)ethyl]benzamide Openeye Name: 3-nitro-N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide CAS Name: 3-nitro-N-[2,2,2-trichloro-1-[[4-morpholinyl(sulfanylidene)methyl]amino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide Traditional Name: 3-nitro-N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide Formula: C14H15Cl3N4O4S MolecularWeight: 441.7173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl3N4O4S/c15-14(16,17)12(19-13(26)20-4-6-25-7-5-20)18-11(22)9-2-1-3-10(8-9)21(23)24/h1-3,8,12H,4-7H2,(H,18,22)(H,19,26)