1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(4-methylpiperazin-1-yl)thiourea

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(4-methylpiperazin-1-yl)thiourea Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylpiperazin-1-yl)thiourea CAS Name: 1-[4-(difluoromethylthio)phenyl]-3-(4-methyl-1-piperazinyl)thiourea IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylpiperazin-1-yl)thiourea Traditional Name: 1-[4-(difluoromethylthio)phenyl]-3-(4-methylpiperazino)thiourea Formula: C13H18F2N4S2 MolecularWeight: 332.435626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C13H18F2N4S2/c1-18-6-8-19(9-7-18)17-13(20)16-10-2-4-11(5-3-10)21-12(14)15/h2-5,12H,6-9H2,1H3,(H2,16,17,20)