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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(5-fluoranyl-2-methyl-phenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(5-fluoro-2-methyl-phenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(5-fluoro-2-methylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(5-fluoro-2-methylphenyl)methyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(5-fluoro-2-methyl-benzyl)thiourea Formula: C16H15FN2O2S MolecularWeight: 318.365903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)F)CNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15FN2O2S/c1-10-2-3-12(17)6-11(10)8-18-16(22)19-13-4-5-14-15(7-13)21-9-20-14/h2-7H,8-9H2,1H3,(H2,18,19,22)