1-[(4-fluorophenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-[(4-fluorophenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(4-fluorobenzyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C20H24FN3O3S MolecularWeight: 405.486263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O3S/c1-2-11-28(26,27)24-10-9-16-5-8-19(12-17(16)14-24)23-20(25)22-13-15-3-6-18(21)7-4-15/h3-8,12H,2,9-11,13-14H2,1H3,(H2,22,23,25)