1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(4-fluorophenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(4-fluorophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(4-fluorophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(4-fluorophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(4-fluorophenyl)thiourea Traditional Name: 3-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-1-piperonyl-thiourea Formula: C23H21FN2O2S MolecularWeight: 408.488443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN2O2S/c1-15-4-3-5-16(2)22(15)25-23(29)26(19-9-7-18(24)8-10-19)13-17-6-11-20-21(12-17)28-14-27-20/h3-12H,13-14H2,1-2H3,(H,25,29)