2-fluoranyl-N-[4-(phenethylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-(phenethylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-fluoro-N-[4-(phenethylcarbamothioylamino)phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[(phenethylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-(phenethylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-fluoro-N-[4-(phenethylthiocarbamoylamino)phenyl]benzamide Formula: C22H20FN3OS MolecularWeight: 393.477103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H20FN3OS/c23-20-9-5-4-8-19(20)21(27)25-17-10-12-18(13-11-17)26-22(28)24-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,27)(H2,24,26,28)