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

Systemtic Name: 1-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-N-propyl-propane-1-sulfonamide Openeye Name: 1-(1-amino-9-oxo-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-N-propyl-propane-1-sulfonamide CAS Name: 1-(1-amino-9-oxo-4-thioxanthenyl)-3-(diethylamino)-N-methyl-N-propyl-1-propanesulfonamide IUPAC Name: 1-(1-amino-9-oxothioxanthen-4-yl)-3-(diethylamino)-N-methyl-N-propylpropane-1-sulfonamide Traditional Name: 1-(1-amino-9-keto-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-N-propyl-propane-1-sulfonamide Formula: C24H33N3O3S2 MolecularWeight: 475.66712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3S2/c1-5-15-26(4)32(29,30)21(14-16-27(6-2)7-3)18-12-13-19(25)22-23(28)17-10-8-9-11-20(17)31-24(18)22/h8-13,21H,5-7,14-16,25H2,1-4H3