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

Systemtic Name: 6-chloranyl-N-(2-diethylaminoethyl)-4-methyl-9-oxidanylidene-thioxanthen-1-amine oxide Openeye Name: 6-chloro-N-(2-diethylaminoethyl)-4-methyl-9-oxo-thioxanthen-1-amine oxide CAS Name: 6-chloro-N-(2-diethylaminoethyl)-4-methyl-9-oxo-1-thioxanthenamine oxide IUPAC Name: 6-chloro-N-(2-diethylaminoethyl)-4-methyl-9-oxothioxanthen-1-amine oxide Traditional Name: 6-chloro-N-(2-diethylaminoethyl)-9-keto-4-methyl-thioxanthen-1-amine oxide Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O2S/c1-4-22(5-2)10-11-23(25)16-9-6-13(3)20-18(16)19(24)15-8-7-14(21)12-17(15)26-20/h6-9,12,23H,4-5,10-11H2,1-3H3