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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamothioylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamothioylamino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamothioylamino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(4-fluorobenzyl)thiocarbamoylamino]acetamide Formula: C18H20FN3OS MolecularWeight: 345.434303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3OS/c1-12-4-3-5-13(2)17(12)22-16(23)11-21-18(24)20-10-14-6-8-15(19)9-7-14/h3-9H,10-11H2,1-2H3,(H,22,23)(H2,20,21,24)