3-butyl-2-[(2S)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-butyl-2-[(2S)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]thio]quinazolin-4-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC(=CC(=C3)C)C)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=CC(=CC(=C3)C)C)O

InChI

InChI=1S/C23H28N2O3S/c1-4-5-10-25-22(27)20-8-6-7-9-21(20)24-23(25)29-15-18(26)14-28-19-12-16(2)11-17(3)13-19/h6-9,11-13,18,26H,4-5,10,14-15H2,1-3H3/t18-/m0/s1