1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(2-methylprop-2-enylcarbamothioylamino)thiourea

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(2-methylprop-2-enylcarbamothioylamino)thiourea Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methylallylcarbamothioylamino)thiourea CAS Name: 1-[[[4-(difluoromethylthio)anilino]-sulfanylidenemethyl]amino]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methylprop-2-enylcarbamothioylamino)thiourea Traditional Name: 1-[4-(difluoromethylthio)phenyl]-3-(2-methylallylthiocarbamoylamino)thiourea Formula: C13H16F2N4S3 MolecularWeight: 362.484746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NNC(=S)NC1=CC=C(C=C1)SC(F)F

Isomeric SMILES

CC(=C)CNC(=S)NNC(=S)NC1=CC=C(C=C1)SC(F)F

InChI

InChI=1S/C13H16F2N4S3/c1-8(2)7-16-12(20)18-19-13(21)17-9-3-5-10(6-4-9)22-11(14)15/h3-6,11H,1,7H2,2H3,(H2,16,18,20)(H2,17,19,21)