2-fluoranyl-N-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[(3-fluoro-4-methylphenyl)carbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]phenyl]benzamide Formula: C21H17F2N3OS MolecularWeight: 397.440986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F2N3OS/c1-13-6-7-16(12-19(13)23)26-21(28)25-15-10-8-14(9-11-15)24-20(27)17-4-2-3-5-18(17)22/h2-12H,1H3,(H,24,27)(H2,25,26,28)