N-[4-[(3,5-dimethylphenyl)methylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3,5-dimethylphenyl)methylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3,5-dimethylphenyl)methylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[(3,5-dimethylphenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3,5-dimethylphenyl)methylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3,5-dimethylbenzyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C23H22FN3OS MolecularWeight: 407.503683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C23H22FN3OS/c1-15-11-16(2)13-17(12-15)14-25-23(29)27-19-9-7-18(8-10-19)26-22(28)20-5-3-4-6-21(20)24/h3-13H,14H2,1-2H3,(H,26,28)(H2,25,27,29)