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

Systemtic Name: N-tert-butyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-tert-butyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-tert-butyl-2-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-tert-butyl-2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FN3O2S/c1-21(2,3)25-19(27)16-6-4-5-7-17(16)23-20(28)24-18(26)13-10-14-8-11-15(22)12-9-14/h4-13H,1-3H3,(H,25,27)(H2,23,24,26,28)/b13-10+