2,2-bis[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-3H-pyran-4-one

Systemtic Name: 2,2-bis[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-3H-pyran-4-one Openeye Name: 2,2-bis[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-3H-pyran-4-one CAS Name: 2,2-bis[2-(4-aminophenyl)ethyl]-5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-3H-pyran-4-one IUPAC Name: 2,2-bis[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-3H-pyran-4-one Traditional Name: 2,2-bis[2-(4-aminophenyl)ethyl]-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-3H-pyran-4-one Formula: C33H40N2O4S MolecularWeight: 560.7467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)CCC4=CC=C(C=C4)N)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)CCC4=CC=C(C=C4)N)O

InChI

InChI=1S/C33H40N2O4S/c1-21-17-29(27(32(2,3)4)18-24(21)20-36)40-30-28(37)19-33(39-31(30)38,15-13-22-5-9-25(34)10-6-22)16-14-23-7-11-26(35)12-8-23/h5-12,17-18,36,38H,13-16,19-20,34-35H2,1-4H3