1-(3-fluoranyl-4-methyl-phenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[3-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-(3-pyrrolidinosulfonylphenyl)thiourea Formula: C18H20FN3O2S2 MolecularWeight: 393.498703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)F

InChI

InChI=1S/C18H20FN3O2S2/c1-13-7-8-15(12-17(13)19)21-18(25)20-14-5-4-6-16(11-14)26(23,24)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3,(H2,20,21,25)