3-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzyl)-1-(1-methyl-4-piperidyl)thiourea Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24FN3O2S/c1-24-10-8-18(9-11-24)25(13-15-2-4-16(22)5-3-15)21(28)23-17-6-7-19-20(12-17)27-14-26-19/h2-7,12,18H,8-11,13-14H2,1H3,(H,23,28)