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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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