1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C18H18F3N3O2S2 MolecularWeight: 429.47963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2S2/c19-18(20,21)15-5-1-2-6-16(15)23-17(27)22-13-7-9-14(10-8-13)28(25,26)24-11-3-4-12-24/h1-2,5-10H,3-4,11-12H2,(H2,22,23,27)