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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C16H14F2N2O2S/c1-2-10-4-3-5-11(8-10)19-15(23)20-12-6-7-13-14(9-12)22-16(17,18)21-13/h3-9H,2H2,1H3,(H2,19,20,23)