3-[(2S)-butan-2-yl]-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one Openeye Name: 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[2-(4-methoxyphenoxy)ethylthio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one Traditional Name: 2-[2-(4-methoxyphenoxy)ethylthio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCCOC3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N2O3S/c1-4-15(2)23-20(24)18-7-5-6-8-19(18)22-21(23)27-14-13-26-17-11-9-16(25-3)10-12-17/h5-12,15H,4,13-14H2,1-3H3/t15-/m0/s1