6-chloranyl-1-[[3-(diethylaminomethyl)-4-oxidanyl-phenyl]amino]-4-methyl-thioxanthen-9-one

Systemtic Name: 6-chloranyl-1-[[3-(diethylaminomethyl)-4-oxidanyl-phenyl]amino]-4-methyl-thioxanthen-9-one Openeye Name: 6-chloro-1-[3-(diethylaminomethyl)-4-hydroxy-anilino]-4-methyl-thioxanthen-9-one CAS Name: 6-chloro-1-[3-(diethylaminomethyl)-4-hydroxyanilino]-4-methyl-9-thioxanthenone IUPAC Name: 6-chloro-1-[3-(diethylaminomethyl)-4-hydroxyanilino]-4-methylthioxanthen-9-one Traditional Name: 6-chloro-1-[3-(diethylaminomethyl)-4-hydroxy-anilino]-4-methyl-thioxanthen-9-one Formula: C25H25ClN2O2S MolecularWeight: 452.9962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=C(C=C2)C)SC4=C(C3=O)C=CC(=C4)Cl)O

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=C(C=C2)C)SC4=C(C3=O)C=CC(=C4)Cl)O

InChI

InChI=1S/C25H25ClN2O2S/c1-4-28(5-2)14-16-12-18(8-11-21(16)29)27-20-10-6-15(3)25-23(20)24(30)19-9-7-17(26)13-22(19)31-25/h6-13,27,29H,4-5,14H2,1-3H3