N-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(4-fluorobenzyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C21H18FN3O3S2 MolecularWeight: 443.514323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O3S2/c22-17-8-6-15(7-9-17)14-23-21(29)24-18-10-12-19(13-11-18)30(27,28)25-20(26)16-4-2-1-3-5-16/h1-13H,14H2,(H,25,26)(H2,23,24,29)