1-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(6-fluorothiochroman-4-yl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]urea IUPAC Name: 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(6-fluorothiochroman-4-yl)-3-[2-(pyrrolidinomethyl)benzyl]urea Formula: C22H26FN3OS MolecularWeight: 399.524743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)NC3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C22H26FN3OS/c23-18-7-8-21-19(13-18)20(9-12-28-21)25-22(27)24-14-16-5-1-2-6-17(16)15-26-10-3-4-11-26/h1-2,5-8,13,20H,3-4,9-12,14-15H2,(H2,24,25,27)