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

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]-4-methyl-benzenesulfonamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=C(C=C3)C)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=C(C=C3)C)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C27H31N3O3S2/c1-4-30(5-2)17-16-28-23-15-12-20(18-29-35(32,33)21-13-10-19(3)11-14-21)27-25(23)26(31)22-8-6-7-9-24(22)34-27/h6-15,28-29H,4-5,16-18H2,1-3H3