N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H20FN3O2S MolecularWeight: 373.444403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H20FN3O2S/c1-19(2,3)17(25)21-14-5-4-6-15(11-14)22-18(26)23-16(24)12-7-9-13(20)10-8-12/h4-11H,1-3H3,(H,21,25)(H2,22,23,24,26)