N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzamide Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-[(4S)-thiochroman-4-yl]benzamide Formula: C23H17F3N2O3S2 MolecularWeight: 490.51789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H17F3N2O3S2/c24-23(25,26)14-9-10-21(18(13-14)28(30)31)33-20-8-4-2-6-16(20)22(29)27-17-11-12-32-19-7-3-1-5-15(17)19/h1-10,13,17H,11-12H2,(H,27,29)/t17-/m0/s1