6-chloranyl-N-(2-diethylaminoethyl)-N,4-dimethyl-9-oxidanylidene-thioxanthen-1-amine oxide

Systemtic Name: 6-chloranyl-N-(2-diethylaminoethyl)-N,4-dimethyl-9-oxidanylidene-thioxanthen-1-amine oxide Openeye Name: 6-chloro-N-(2-diethylaminoethyl)-N,4-dimethyl-9-oxo-thioxanthen-1-amine oxide CAS Name: 6-chloro-N-(2-diethylaminoethyl)-N,4-dimethyl-9-oxo-1-thioxanthenamine oxide IUPAC Name: 6-chloro-N-(2-diethylaminoethyl)-N,4-dimethyl-9-oxothioxanthen-1-amine oxide Traditional Name: 6-chloro-N-(2-diethylaminoethyl)-9-keto-N,4-dimethyl-thioxanthen-1-amine oxide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+](C)(C1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)[O-]

Isomeric SMILES

CCN(CC)CC[N+](C)(C1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)[O-]

InChI

InChI=1S/C21H25ClN2O2S/c1-5-23(6-2)11-12-24(4,26)17-10-7-14(3)21-19(17)20(25)16-9-8-15(22)13-18(16)27-21/h7-10,13H,5-6,11-12H2,1-4H3