1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-phenethyl-thiourea

Systemtic Name: 1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-phenethyl-thiourea Openeye Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-phenethyl-thiourea CAS Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-phenethylthiourea IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-phenethylthiourea Traditional Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-phenethyl-thiourea Formula: C16H14F2N2O2S MolecularWeight: 336.356366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C16H14F2N2O2S/c17-16(18)21-13-7-6-12(10-14(13)22-16)20-15(23)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,19,20,23)