1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-fluoranyl-2-methyl-phenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-fluoranyl-2-methyl-phenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-fluoro-2-methyl-phenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-fluoro-2-methylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-fluoro-2-methylphenyl)methyl]thiourea Traditional Name: 1-(5-fluoro-2-methyl-benzyl)-3-piperonyl-thiourea Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)F)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17FN2O2S/c1-11-2-4-14(18)7-13(11)9-20-17(23)19-8-12-3-5-15-16(6-12)22-10-21-15/h2-7H,8-10H2,1H3,(H2,19,20,23)