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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(3H-benzimidazol-5-yl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(3H-benzimidazol-5-yl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-2-[2-(3H-benzimidazol-5-yl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-2-[2-(3H-benzimidazol-5-yl)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-(3H-benzimidazol-5-yl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC4=C(C=C3)N=CN4)C(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC4=C(C=C3)N=CN4)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C28H35N3O3S/c1-16(2)28(10-9-18-7-8-21-22(12-18)31-15-30-21)14-23(32)25(26(33)34-28)35-24-11-17(3)20(29)13-19(24)27(4,5)6/h7-8,11-13,15-16,33H,9-10,14,29H2,1-6H3,(H,30,31)