N-[[1-[3-(dimethylamino)propylamino]-9-oxidanylidene-thioxanthen-4-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-[3-(dimethylamino)propylamino]-9-oxidanylidene-thioxanthen-4-yl]methyl]methanesulfonamide Openeye Name: N-[[1-[3-(dimethylamino)propylamino]-9-oxo-thioxanthen-4-yl]methyl]methanesulfonamide CAS Name: N-[[1-[3-(dimethylamino)propylamino]-9-oxo-4-thioxanthenyl]methyl]methanesulfonamide IUPAC Name: N-[[1-[3-(dimethylamino)propylamino]-9-oxothioxanthen-4-yl]methyl]methanesulfonamide Traditional Name: N-[[1-[3-(dimethylamino)propylamino]-9-keto-thioxanthen-4-yl]methyl]methanesulfonamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)SC3=CC=CC=C3C2=O

Isomeric SMILES

CN(C)CCCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H25N3O3S2/c1-23(2)12-6-11-21-16-10-9-14(13-22-28(3,25)26)20-18(16)19(24)15-7-4-5-8-17(15)27-20/h4-5,7-10,21-22H,6,11-13H2,1-3H3