3-phenyl-N-[2,2,2-tris(chloranyl)-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide

Systemtic Name: 3-phenyl-N-[2,2,2-tris(chloranyl)-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide Openeye Name: 3-phenyl-N-[2,2,2-trichloro-1-(1-naphthylcarbamothioylamino)ethyl]propanamide CAS Name: 3-phenyl-N-[2,2,2-trichloro-1-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]propanamide IUPAC Name: 3-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide Traditional Name: 3-phenyl-N-[2,2,2-trichloro-1-(1-naphthylthiocarbamoylamino)ethyl]propionamide Formula: C22H20Cl3N3OS MolecularWeight: 480.8377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H20Cl3N3OS/c23-22(24,25)20(27-19(29)14-13-15-7-2-1-3-8-15)28-21(30)26-18-12-6-10-16-9-4-5-11-17(16)18/h1-12,20H,13-14H2,(H,27,29)(H2,26,28,30)