2-[2-(4-aminophenyl)ethyl]-5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 2-[2-(4-aminophenyl)ethyl]-5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O3S/c1-16(2)27(12-11-18-7-9-19(28)10-8-18)15-22(30)24(25(31)32-27)33-23-13-17(3)21(29)14-20(23)26(4,5)6/h7-10,13-14,16,31H,11-12,15,28-29H2,1-6H3