1-(1,3-benzodioxol-5-ylmethyl)-3-[2-chloranyl-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-chloranyl-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-piperonyl-thiourea Formula: C16H12ClF3N2O2S MolecularWeight: 388.79189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClF3N2O2S/c17-11-3-2-10(16(18,19)20)6-12(11)22-15(25)21-7-9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8H2,(H2,21,22,25)