2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C24H20FN3O2S/c25-19-13-10-17(11-14-19)12-15-22(29)28-24(31)27-21-9-5-4-8-20(21)23(30)26-16-18-6-2-1-3-7-18/h1-15H,16H2,(H,26,30)(H2,27,28,29,31)/b15-12+