1-[3-[(cyclohexa-1,5-dien-1-ylcarbamothioylamino)methyl]-5-(trifluoromethyl)phenyl]-1-methyl-urea

Systemtic Name: 1-[3-[(cyclohexa-1,5-dien-1-ylcarbamothioylamino)methyl]-5-(trifluoromethyl)phenyl]-1-methyl-urea Openeye Name: 1-[3-[(cyclohexa-1,5-dien-1-ylcarbamothioylamino)methyl]-5-(trifluoromethyl)phenyl]-1-methyl-urea CAS Name: 1-[3-[[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]methyl]-5-(trifluoromethyl)phenyl]-1-methylurea IUPAC Name: 1-[3-[(cyclohexa-1,5-dien-1-ylcarbamothioylamino)methyl]-5-(trifluoromethyl)phenyl]-1-methylurea Traditional Name: 1-[3-[(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]-1-methyl-urea Formula: C17H19F3N4OS MolecularWeight: 384.41917

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC(=C1)C(F)(F)F)CNC(=S)NC2=CCCC=C2)C(=O)N

Isomeric SMILES

CN(C1=CC(=CC(=C1)C(F)(F)F)CNC(=S)NC2=CCCC=C2)C(=O)N

InChI

InChI=1S/C17H19F3N4OS/c1-24(15(21)25)14-8-11(7-12(9-14)17(18,19)20)10-22-16(26)23-13-5-3-2-4-6-13/h3,5-9H,2,4,10H2,1H3,(H2,21,25)(H2,22,23,26)