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

Systemtic Name: 6-chloranyl-1-[[4-ethoxy-3-(pyrrolidin-1-ylmethyl)phenyl]amino]-4-methyl-thioxanthen-9-one Openeye Name: 6-chloro-1-[4-ethoxy-3-(pyrrolidin-1-ylmethyl)anilino]-4-methyl-thioxanthen-9-one CAS Name: 6-chloro-1-[4-ethoxy-3-(1-pyrrolidinylmethyl)anilino]-4-methyl-9-thioxanthenone IUPAC Name: 6-chloro-1-[4-ethoxy-3-(pyrrolidin-1-ylmethyl)anilino]-4-methylthioxanthen-9-one Traditional Name: 6-chloro-1-[4-ethoxy-3-(pyrrolidinomethyl)anilino]-4-methyl-thioxanthen-9-one Formula: C27H27ClN2O2S MolecularWeight: 479.03348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C3C(=C(C=C2)C)SC4=C(C3=O)C=CC(=C4)Cl)CN5CCCC5

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C3C(=C(C=C2)C)SC4=C(C3=O)C=CC(=C4)Cl)CN5CCCC5

InChI

InChI=1S/C27H27ClN2O2S/c1-3-32-23-11-8-20(14-18(23)16-30-12-4-5-13-30)29-22-10-6-17(2)27-25(22)26(31)21-9-7-19(28)15-24(21)33-27/h6-11,14-15,29H,3-5,12-13,16H2,1-2H3