4-nitro-N-[2,2,2-tris(chloranyl)-1-(naphthalen-2-ylcarbamothioylamino)ethyl]benzamide

Systemtic Name: 4-nitro-N-[2,2,2-tris(chloranyl)-1-(naphthalen-2-ylcarbamothioylamino)ethyl]benzamide Openeye Name: 4-nitro-N-[2,2,2-trichloro-1-(2-naphthylcarbamothioylamino)ethyl]benzamide CAS Name: 4-nitro-N-[2,2,2-trichloro-1-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-nitro-N-[2,2,2-trichloro-1-(naphthalen-2-ylcarbamothioylamino)ethyl]benzamide Traditional Name: 4-nitro-N-[2,2,2-trichloro-1-(2-naphthylthiocarbamoylamino)ethyl]benzamide Formula: C20H15Cl3N4O3S MolecularWeight: 497.7821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15Cl3N4O3S/c21-20(22,23)18(25-17(28)13-6-9-16(10-7-13)27(29)30)26-19(31)24-15-8-5-12-3-1-2-4-14(12)11-15/h1-11,18H,(H,25,28)(H2,24,26,31)