1-(2-diethylaminoethylamino)-9-oxidanylidene-4-[[2-(sulfinatoamino)phenyl]methyl]thioxanthene

Systemtic Name: 1-(2-diethylaminoethylamino)-9-oxidanylidene-4-[[2-(sulfinatoamino)phenyl]methyl]thioxanthene Openeye Name: 1-(2-diethylaminoethylamino)-9-oxo-4-[[2-(sulfinatoamino)phenyl]methyl]thioxanthene CAS Name: 1-(2-diethylaminoethylamino)-9-oxo-4-[[2-(sulfinatoamino)phenyl]methyl]thioxanthene IUPAC Name: 1-(2-diethylaminoethylamino)-9-oxo-4-[[2-(sulfinatoamino)phenyl]methyl]thioxanthene Traditional Name: 1-(2-diethylaminoethylamino)-9-keto-4-[2-(sulfinatoamino)benzyl]thioxanthene Formula: C26H28N3O3S2- MolecularWeight: 494.64882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CC3=CC=CC=C3NS(=O)[O-])SC4=CC=CC=C4C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CC3=CC=CC=C3NS(=O)[O-])SC4=CC=CC=C4C2=O

InChI

InChI=1S/C26H29N3O3S2/c1-3-29(4-2)16-15-27-22-14-13-19(17-18-9-5-7-11-21(18)28-34(31)32)26-24(22)25(30)20-10-6-8-12-23(20)33-26/h5-14,27-28H,3-4,15-17H2,1-2H3,(H,31,32)/p-1