2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]quinazolin-4-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(C)C

InChI

InChI=1S/C23H28N2O3S/c1-16(2)19-10-9-18(15-17(19)3)28-13-14-29-23-24-21-8-5-4-7-20(21)22(27)25(23)11-6-12-26/h4-5,7-10,15-16,26H,6,11-14H2,1-3H3