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

Systemtic Name: 6-chloranyl-4-methyl-1-[[4-oxidanyl-3-(pyrrolidin-1-ylmethyl)phenyl]amino]thioxanthen-9-one Openeye Name: 6-chloro-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)anilino]-4-methyl-thioxanthen-9-one CAS Name: 6-chloro-1-[4-hydroxy-3-(1-pyrrolidinylmethyl)anilino]-4-methyl-9-thioxanthenone IUPAC Name: 6-chloro-1-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)anilino]-4-methylthioxanthen-9-one Traditional Name: 6-chloro-1-[4-hydroxy-3-(pyrrolidinomethyl)anilino]-4-methyl-thioxanthen-9-one Formula: C25H23ClN2O2S MolecularWeight: 450.98032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC3=CC(=C(C=C3)O)CN4CCCC4)C(=O)C5=C(S2)C=C(C=C5)Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)NC3=CC(=C(C=C3)O)CN4CCCC4)C(=O)C5=C(S2)C=C(C=C5)Cl

InChI

InChI=1S/C25H23ClN2O2S/c1-15-4-8-20(23-24(30)19-7-5-17(26)13-22(19)31-25(15)23)27-18-6-9-21(29)16(12-18)14-28-10-2-3-11-28/h4-9,12-13,27,29H,2-3,10-11,14H2,1H3