3-[2,4-bis(fluoranyl)phenyl]-1-(3,4-dihydro-2H-thiochromen-4-yl)-1-heptyl-urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-(3,4-dihydro-2H-thiochromen-4-yl)-1-heptyl-urea Openeye Name: 3-(2,4-difluorophenyl)-1-heptyl-1-thiochroman-4-yl-urea CAS Name: 3-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-heptylurea IUPAC Name: 3-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-thiochromen-4-yl)-1-heptylurea Traditional Name: 3-(2,4-difluorophenyl)-1-heptyl-1-thiochroman-4-yl-urea Formula: C23H28F2N2OS MolecularWeight: 418.543026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1CCSC2=CC=CC=C12)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCCCCCCN(C1CCSC2=CC=CC=C12)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C23H28F2N2OS/c1-2-3-4-5-8-14-27(21-13-15-29-22-10-7-6-9-18(21)22)23(28)26-20-12-11-17(24)16-19(20)25/h6-7,9-12,16,21H,2-5,8,13-15H2,1H3,(H,26,28)