5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-[4-(2-piperazin-1-ylethoxy)phenyl]-3H-pyran-4-one

Systemtic Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-[4-(2-piperazin-1-ylethoxy)phenyl]-3H-pyran-4-one Openeye Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-phenethyl-2-[4-(2-piperazin-1-ylethoxy)phenyl]-3H-pyran-4-one CAS Name: 5-[(2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-phenethyl-2-[4-[2-(1-piperazinyl)ethoxy]phenyl]-3H-pyran-4-one IUPAC Name: 5-(2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-phenethyl-2-[4-(2-piperazin-1-ylethoxy)phenyl]-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-phenethyl-2-[4-(2-piperazinoethoxy)phenyl]-3H-pyran-4-one Formula: C36H44N2O4S MolecularWeight: 600.81056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCNCC5)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCNCC5)O

InChI

InChI=1S/C36H44N2O4S/c1-26-10-15-30(35(2,3)4)32(24-26)43-33-31(39)25-36(42-34(33)40,17-16-27-8-6-5-7-9-27)28-11-13-29(14-12-28)41-23-22-38-20-18-37-19-21-38/h5-15,24,37,40H,16-23,25H2,1-4H3