3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-(3-butylsulfanyl-4-methyl-phenyl)oxan-2-one

Systemtic Name: 3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-(3-butylsulfanyl-4-methyl-phenyl)oxan-2-one Openeye Name: 3-[(3-amino-4-hydroxy-phenyl)methyl]-5-(3-butylsulfanyl-4-methyl-phenyl)tetrahydropyran-2-one CAS Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-[3-(butylthio)-4-methylphenyl]-2-oxanone IUPAC Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-(3-butylsulfanyl-4-methylphenyl)oxan-2-one Traditional Name: 3-(3-amino-4-hydroxy-benzyl)-5-[3-(butylthio)-4-methyl-phenyl]tetrahydropyran-2-one Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=CC(=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)N)C

Isomeric SMILES

CCCCSC1=C(C=CC(=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)N)C

InChI

InChI=1S/C23H29NO3S/c1-3-4-9-28-22-13-17(7-5-15(22)2)19-12-18(23(26)27-14-19)10-16-6-8-21(25)20(24)11-16/h5-8,11,13,18-19,25H,3-4,9-10,12,14,24H2,1-2H3