1-(2-diethylaminoethylamino)-4,6-dimethyl-thioxanthen-9-one chloride

Systemtic Name: 1-(2-diethylaminoethylamino)-4,6-dimethyl-thioxanthen-9-one chloride Openeye Name: 1-(2-diethylaminoethylamino)-4,6-dimethyl-thioxanthen-9-one chloride CAS Name: 1-(2-diethylaminoethylamino)-4,6-dimethyl-9-thioxanthenone chloride IUPAC Name: 1-(2-diethylaminoethylamino)-4,6-dimethylthioxanthen-9-one chloride Traditional Name: 1-(2-diethylaminoethylamino)-4,6-dimethyl-thioxanthen-9-one chloride Formula: C21H26ClN2OS- MolecularWeight: 389.96194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)C.[Cl-]

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)C.[Cl-]

InChI

InChI=1S/C21H26N2OS.ClH/c1-5-23(6-2)12-11-22-17-10-8-15(4)21-19(17)20(24)16-9-7-14(3)13-18(16)25-21;/h7-10,13,22H,5-6,11-12H2,1-4H3;1H/p-1