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

Systemtic Name: 1-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]-1-methyl-urea Openeye Name: 1-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]-1-methyl-urea CAS Name: 1-[3-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-5-(trifluoromethyl)phenyl]-1-methylurea IUPAC Name: 1-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]-1-methylurea Traditional Name: 1-[3-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)-5-(trifluoromethyl)phenyl]-1-methyl-urea Formula: C16H17F3N4OS MolecularWeight: 370.39259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N4OS/c1-23(14(20)24)13-8-10(16(17,18)19)7-12(9-13)22-15(25)21-11-5-3-2-4-6-11/h3,5-9H,2,4H2,1H3,(H2,20,24)(H2,21,22,25)