N-[4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[2-(3,4-dichlorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[2-(3,4-dichlorophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H18Cl2FN3OS MolecularWeight: 462.367223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCC3=CC(=C(C=C3)Cl)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCC3=CC(=C(C=C3)Cl)Cl)F

InChI

InChI=1S/C22H18Cl2FN3OS/c23-18-10-5-14(13-19(18)24)11-12-26-22(30)28-16-8-6-15(7-9-16)27-21(29)17-3-1-2-4-20(17)25/h1-10,13H,11-12H2,(H,27,29)(H2,26,28,30)