1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]propyl]-3-methyl-thiourea

Systemtic Name: 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]propyl]-3-methyl-thiourea Openeye Name: 1-[3-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]propyl]-3-methyl-thiourea CAS Name: 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]propyl]-3-methylthiourea IUPAC Name: 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]-3-methylthiourea Traditional Name: 1-[3-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]propyl]-3-methyl-thiourea Formula: C22H28FN3O2S2 MolecularWeight: 449.605023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCCNC(=S)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCCNC(=S)NC

InChI

InChI=1S/C22H28FN3O2S2/c1-16-5-12-20(13-6-16)30(27,28)26-19(4-3-15-25-22(29)24-2)11-14-21(26)17-7-9-18(23)10-8-17/h5-10,12-13,19,21H,3-4,11,14-15H2,1-2H3,(H2,24,25,29)