aminocarbonyl-[2,4-bis(fluoranyl)phenyl]-(3,4-dihydro-2H-thiochromen-4-yl)-(phenylmethyl)azanium

Systemtic Name: aminocarbonyl-[2,4-bis(fluoranyl)phenyl]-(3,4-dihydro-2H-thiochromen-4-yl)-(phenylmethyl)azanium Openeye Name: benzyl-carbamoyl-(2,4-difluorophenyl)-thiochroman-4-yl-ammonium CAS Name: carbamoyl-(2,4-difluorophenyl)-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-(phenylmethyl)ammonium IUPAC Name: benzyl-carbamoyl-(2,4-difluorophenyl)-(3,4-dihydro-2H-thiochromen-4-yl)azanium Traditional Name: benzyl-carbamoyl-(2,4-difluorophenyl)-thiochroman-4-yl-ammonium Formula: C23H21F2N2OS+ MolecularWeight: 411.487446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1[N+](CC3=CC=CC=C3)(C4=C(C=C(C=C4)F)F)C(=O)N

Isomeric SMILES

C1CSC2=CC=CC=C2C1[N+](CC3=CC=CC=C3)(C4=C(C=C(C=C4)F)F)C(=O)N

InChI

InChI=1S/C23H20F2N2OS/c24-17-10-11-21(19(25)14-17)27(23(26)28,15-16-6-2-1-3-7-16)20-12-13-29-22-9-5-4-8-18(20)22/h1-11,14,20H,12-13,15H2,(H-,26,28)/p+1