2-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]thio]-3-propyl-quinazolin-4-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-3-11-23-20(25)18-9-4-5-10-19(18)22-21(23)27-14-16(24)13-26-17-8-6-7-15(2)12-17/h4-10,12,16,24H,3,11,13-14H2,1-2H3/t16-/m0/s1