7-chloranyl-1-[[3-(diethylamino)-2-oxidanyl-propyl]amino]-4-methyl-thioxanthen-9-one

Systemtic Name: 7-chloranyl-1-[[3-(diethylamino)-2-oxidanyl-propyl]amino]-4-methyl-thioxanthen-9-one Openeye Name: 7-chloro-1-[[3-(diethylamino)-2-hydroxy-propyl]amino]-4-methyl-thioxanthen-9-one CAS Name: 7-chloro-1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-methyl-9-thioxanthenone IUPAC Name: 7-chloro-1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-methylthioxanthen-9-one Traditional Name: 7-chloro-1-[[3-(diethylamino)-2-hydroxy-propyl]amino]-4-methyl-thioxanthen-9-one Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=C(C=C3)Cl)O

Isomeric SMILES

CCN(CC)CC(CNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=C(C=C3)Cl)O

InChI

InChI=1S/C21H25ClN2O2S/c1-4-24(5-2)12-15(25)11-23-17-8-6-13(3)21-19(17)20(26)16-10-14(22)7-9-18(16)27-21/h6-10,15,23,25H,4-5,11-12H2,1-3H3