3-nitro-N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]benzamide

Systemtic Name: 3-nitro-N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]benzamide Openeye Name: 3-nitro-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide CAS Name: N-[1-[[anilino(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]-3-nitrobenzamide IUPAC Name: 3-nitro-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide Traditional Name: 3-nitro-N-[2,2,2-trichloro-1-(phenylthiocarbamoylamino)ethyl]benzamide Formula: C16H13Cl3N4O3S MolecularWeight: 447.72342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13Cl3N4O3S/c17-16(18,19)14(22-15(27)20-11-6-2-1-3-7-11)21-13(24)10-5-4-8-12(9-10)23(25)26/h1-9,14H,(H,21,24)(H2,20,22,27)