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

Systemtic Name: 4-methoxy-N-[2,2,2-tris(chloranyl)-1-(naphthalen-2-ylcarbamothioylamino)ethyl]benzamide Openeye Name: 4-methoxy-N-[2,2,2-trichloro-1-(2-naphthylcarbamothioylamino)ethyl]benzamide CAS Name: 4-methoxy-N-[2,2,2-trichloro-1-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-methoxy-N-[2,2,2-trichloro-1-(naphthalen-2-ylcarbamothioylamino)ethyl]benzamide Traditional Name: 4-methoxy-N-[2,2,2-trichloro-1-(2-naphthylthiocarbamoylamino)ethyl]benzamide Formula: C21H18Cl3N3O2S MolecularWeight: 482.81052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18Cl3N3O2S/c1-29-17-10-7-14(8-11-17)18(28)26-19(21(22,23)24)27-20(30)25-16-9-6-13-4-2-3-5-15(13)12-16/h2-12,19H,1H3,(H,26,28)(H2,25,27,30)