N-[(3-chloranyl-4-fluoranyl-phenyl)methylcarbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)methylcarbamothioyl]-4-methyl-benzamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)methylcarbamothioyl]-4-methyl-benzamide CAS Name: N-[[(3-chloro-4-fluorophenyl)methylamino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)methylcarbamothioyl]-4-methylbenzamide Traditional Name: N-[(3-chloro-4-fluoro-benzyl)thiocarbamoyl]-4-methyl-benzamide Formula: C16H14ClFN2OS MolecularWeight: 336.811563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H14ClFN2OS/c1-10-2-5-12(6-3-10)15(21)20-16(22)19-9-11-4-7-14(18)13(17)8-11/h2-8H,9H2,1H3,(H2,19,20,21,22)