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

Systemtic Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-yl-benzamide Openeye Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-isopropyl-benzamide CAS Name: 2-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-ylbenzamide Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]-N-isopropyl-benzamide Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O2S/c1-13(2)22-19(26)16-5-3-4-6-17(16)23-20(27)24-18(25)12-9-14-7-10-15(21)11-8-14/h3-13H,1-2H3,(H,22,26)(H2,23,24,25,27)/b12-9+