1-[4-bromanyl-2-(trifluoromethyl)phenyl]-3-[(2-methylphenyl)carbamothioylamino]urea

Systemtic Name: 1-[4-bromanyl-2-(trifluoromethyl)phenyl]-3-[(2-methylphenyl)carbamothioylamino]urea Openeye Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-(o-tolylcarbamothioylamino)urea CAS Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-[[(2-methylanilino)-sulfanylidenemethyl]amino]urea IUPAC Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-[(2-methylphenyl)carbamothioylamino]urea Traditional Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-(o-tolylthiocarbamoylamino)urea Formula: C16H14BrF3N4OS MolecularWeight: 447.27277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C16H14BrF3N4OS/c1-9-4-2-3-5-12(9)22-15(26)24-23-14(25)21-13-7-6-10(17)8-11(13)16(18,19)20/h2-8H,1H3,(H2,21,23,25)(H2,22,24,26)