1-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-3-(diethylamino)-N-ethyl-N-methyl-propane-1-sulfonamide

Systemtic Name: 1-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-3-(diethylamino)-N-ethyl-N-methyl-propane-1-sulfonamide Openeye Name: 1-(1-amino-9-oxo-thioxanthen-4-yl)-3-(diethylamino)-N-ethyl-N-methyl-propane-1-sulfonamide CAS Name: 1-(1-amino-9-oxo-4-thioxanthenyl)-3-(diethylamino)-N-ethyl-N-methyl-1-propanesulfonamide IUPAC Name: 1-(1-amino-9-oxothioxanthen-4-yl)-3-(diethylamino)-N-ethyl-N-methylpropane-1-sulfonamide Traditional Name: 1-(1-amino-9-keto-thioxanthen-4-yl)-3-(diethylamino)-N-ethyl-N-methyl-propane-1-sulfonamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)S(=O)(=O)C(CCN(CC)CC)C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CCN(C)S(=O)(=O)C(CCN(CC)CC)C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C23H31N3O3S2/c1-5-25(4)31(28,29)20(14-15-26(6-2)7-3)17-12-13-18(24)21-22(27)16-10-8-9-11-19(16)30-23(17)21/h8-13,20H,5-7,14-15,24H2,1-4H3