N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-4-fluoranyl-benzamide Openeye Name: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]-4-fluoro-benzamide CAS Name: N-[1-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]-4-fluorobenzamide IUPAC Name: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-4-fluorobenzamide Traditional Name: N-[1-[(3-bromophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]-4-fluoro-benzamide Formula: C16H12BrCl3FN3OS MolecularWeight: 499.612383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H12BrCl3FN3OS/c17-10-2-1-3-12(8-10)22-15(26)24-14(16(18,19)20)23-13(25)9-4-6-11(21)7-5-9/h1-8,14H,(H,23,25)(H2,22,24,26)