1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3-fluoranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-cyclopentyl-3-(3-fluoro-4-methyl-phenyl)-1-piperonyl-thiourea Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)F

InChI

InChI=1S/C21H23FN2O2S/c1-14-6-8-16(11-18(14)22)23-21(27)24(17-4-2-3-5-17)12-15-7-9-19-20(10-15)26-13-25-19/h6-11,17H,2-5,12-13H2,1H3,(H,23,27)