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

Systemtic Name: 6-chloranyl-1-[[3-(diethylaminomethyl)-4-methoxy-phenyl]amino]-4-methyl-thioxanthen-9-one Openeye Name: 6-chloro-1-[3-(diethylaminomethyl)-4-methoxy-anilino]-4-methyl-thioxanthen-9-one CAS Name: 6-chloro-1-[3-(diethylaminomethyl)-4-methoxyanilino]-4-methyl-9-thioxanthenone IUPAC Name: 6-chloro-1-[3-(diethylaminomethyl)-4-methoxyanilino]-4-methylthioxanthen-9-one Traditional Name: 6-chloro-1-[3-(diethylaminomethyl)-4-methoxy-anilino]-4-methyl-thioxanthen-9-one Formula: C26H27ClN2O2S MolecularWeight: 467.02278

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O2S/c1-5-29(6-2)15-17-13-19(9-12-22(17)31-4)28-21-11-7-16(3)26-24(21)25(30)20-10-8-18(27)14-23(20)32-26/h7-14,28H,5-6,15H2,1-4H3