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

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(3-ethylphenyl)thiourea Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-ethylphenyl)thiourea CAS Name: 1-[4-(difluoromethylthio)phenyl]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-ethylphenyl)thiourea Traditional Name: 1-[4-(difluoromethylthio)phenyl]-3-(3-ethylphenyl)thiourea Formula: C16H16F2N2S2 MolecularWeight: 338.438446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C16H16F2N2S2/c1-2-11-4-3-5-13(10-11)20-16(21)19-12-6-8-14(9-7-12)22-15(17)18/h3-10,15H,2H2,1H3,(H2,19,20,21)