N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxidanylidene-thioxanthen-4-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxidanylidene-thioxanthen-4-yl]methyl]methanesulfonamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-thioxanthen-4-yl]methyl]methanesulfonamide CAS Name: N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-4-thioxanthenyl]methyl]methanesulfonamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxothioxanthen-4-yl]methyl]methanesulfonamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-7-methoxy-thioxanthen-4-yl]methyl]methanesulfonamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)SC3=C(C2=O)C=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)SC3=C(C2=O)C=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4S2/c1-5-25(6-2)12-11-23-18-9-7-15(14-24-31(4,27)28)22-20(18)21(26)17-13-16(29-3)8-10-19(17)30-22/h7-10,13,23-24H,5-6,11-12,14H2,1-4H3