1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea Formula: C16H10F6N2O2S MolecularWeight: 408.318219

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H10F6N2O2S/c17-15(18,19)8-3-9(16(20,21)22)5-11(4-8)24-14(27)23-10-1-2-12-13(6-10)26-7-25-12/h1-6H,7H2,(H2,23,24,27)