1-[2,6-bis(fluoranyl)phenyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(2,6-difluorophenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(2,6-difluorophenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-(2,6-difluorophenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(2,6-difluorophenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C19H21F2N3O3S MolecularWeight: 409.450146

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=C(C=CC=C3F)F

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=C(C=CC=C3F)F

InChI

InChI=1S/C19H21F2N3O3S/c1-2-10-28(26,27)24-9-8-13-6-7-15(11-14(13)12-24)22-19(25)23-18-16(20)4-3-5-17(18)21/h3-7,11H,2,8-10,12H2,1H3,(H2,22,23,25)