1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea

Systemtic Name: 1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-ethyl-1-[1-(phenylmethyl)-3-pyrrolidinyl]-3-[4-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[4-(trifluoromethylthio)phenyl]urea Formula: C21H24F3N3OS MolecularWeight: 423.49497

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C21H24F3N3OS/c1-2-27(18-12-13-26(15-18)14-16-6-4-3-5-7-16)20(28)25-17-8-10-19(11-9-17)29-21(22,23)24/h3-11,18H,2,12-15H2,1H3,(H,25,28)