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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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