1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluorophenyl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluorophenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluorophenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluorophenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluorophenyl)ethyl]thiourea Traditional Name: 1-[2-(3-fluorophenyl)ethyl]-3-piperonyl-thiourea Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCC3=CC(=CC=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCC3=CC(=CC=C3)F

InChI

InChI=1S/C17H17FN2O2S/c18-14-3-1-2-12(8-14)6-7-19-17(23)20-10-13-4-5-15-16(9-13)22-11-21-15/h1-5,8-9H,6-7,10-11H2,(H2,19,20,23)