2-[(4-fluorophenyl)methylcarbamothioylamino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(4-fluorobenzyl)thiocarbamoylamino]-N-mesityl-acetamide Formula: C19H22FN3OS MolecularWeight: 359.460883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=S)NCC2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=S)NCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C19H22FN3OS/c1-12-8-13(2)18(14(3)9-12)23-17(24)11-22-19(25)21-10-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,23,24)(H2,21,22,25)