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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=S)N(C)C1CCC(N1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN(C(=S)N(C)C1CCC(N1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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