[1-benzamido-2,2,2-tris(chloranyl)ethyl] N'-phenylcarbamimidothioate

Systemtic Name: [1-benzamido-2,2,2-tris(chloranyl)ethyl] N'-phenylcarbamimidothioate Openeye Name: N-[2,2,2-trichloro-1-(N'-phenylcarbamimidoyl)sulfanyl-ethyl]benzamide CAS Name: N'-phenylcarbamimidothioic acid (1-benzamido-2,2,2-trichloroethyl) ester IUPAC Name: (1-benzamido-2,2,2-trichloroethyl) N'-phenylcarbamimidothioate Traditional Name: N-[2,2,2-trichloro-1-[(N'-phenylamidino)thio]ethyl]benzamide Formula: C16H14Cl3N3OS MolecularWeight: 402.72586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC(=NC2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC(=NC2=CC=CC=C2)N

InChI

InChI=1S/C16H14Cl3N3OS/c17-16(18,19)14(22-13(23)11-7-3-1-4-8-11)24-15(20)21-12-9-5-2-6-10-12/h1-10,14H,(H2,20,21)(H,22,23)