N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-N-methyl-methanesulfonamide

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-N-methyl-methanesulfonamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]-N-methyl-methanesulfonamide CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]-N-methylmethanesulfonamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]-N-methylmethanesulfonamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]-N-methyl-methanesulfonamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CN(C)S(=O)(=O)C)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CN(C)S(=O)(=O)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H29N3O3S2/c1-5-25(6-2)14-13-23-18-12-11-16(15-24(3)30(4,27)28)22-20(18)21(26)17-9-7-8-10-19(17)29-22/h7-12,23H,5-6,13-15H2,1-4H3