2-[(4-fluorophenyl)methylcarbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-fluorobenzyl)thiocarbamoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C16H20FN5OS MolecularWeight: 349.426303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H20FN5OS/c1-10-15(11(2)22(3)21-10)20-14(23)9-19-16(24)18-8-12-4-6-13(17)7-5-12/h4-7H,8-9H2,1-3H3,(H,20,23)(H2,18,19,24)