3-[4-[(2S)-butan-2-yl]phenyl]-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenyl]-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one Openeye Name: 2-acetonylsulfanyl-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[(2S)-butan-2-yl]phenyl]-2-(2-oxopropylthio)-4-quinazolinone IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenyl]-2-(2-oxopropylsulfanyl)quinazolin-4-one Traditional Name: 2-(acetonylthio)-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C

InChI

InChI=1S/C21H22N2O2S/c1-4-14(2)16-9-11-17(12-10-16)23-20(25)18-7-5-6-8-19(18)22-21(23)26-13-15(3)24/h5-12,14H,4,13H2,1-3H3/t14-/m0/s1