2-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 2-[[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 2-[[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]thio]-3-ethyl-quinazolin-4-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC=C(C=C3)C(C)(C)C)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=CC=C(C=C3)C(C)(C)C)O

InChI

InChI=1S/C23H28N2O3S/c1-5-25-21(27)19-8-6-7-9-20(19)24-22(25)29-15-17(26)14-28-18-12-10-16(11-13-18)23(2,3)4/h6-13,17,26H,5,14-15H2,1-4H3/t17-/m0/s1