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

Systemtic Name: 2-[(2S)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]thio]-3-propyl-quinazolin-4-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC(=CC(=C3)C)C)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=CC(=CC(=C3)C)C)O

InChI

InChI=1S/C22H26N2O3S/c1-4-9-24-21(26)19-7-5-6-8-20(19)23-22(24)28-14-17(25)13-27-18-11-15(2)10-16(3)12-18/h5-8,10-12,17,25H,4,9,13-14H2,1-3H3/t17-/m0/s1