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

Systemtic Name: 3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-phenyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-(difluoromethylsulfanyl)phenyl]-1-phenyl-thiourea CAS Name: 3-[4-(difluoromethylthio)phenyl]-1-phenyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-(difluoromethylsulfanyl)phenyl]-1-phenylthiourea Traditional Name: 1-benzyl-3-[4-(difluoromethylthio)phenyl]-1-phenyl-thiourea Formula: C21H18F2N2S2 MolecularWeight: 400.507826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C21H18F2N2S2/c22-20(23)27-19-13-11-17(12-14-19)24-21(26)25(18-9-5-2-6-10-18)15-16-7-3-1-4-8-16/h1-14,20H,15H2,(H,24,26)