3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-2-(3-oxidanylidenebutylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-2-(3-oxidanylidenebutylsulfanyl)quinazolin-4-one Openeye Name: 6-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]-2-(3-oxobutylsulfanyl)quinazolin-4-one CAS Name: 3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-2-(3-oxobutylthio)-4-quinazolinone IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-2-(3-oxobutylsulfanyl)quinazolin-4-one Traditional Name: 6-chloro-2-(3-ketobutylthio)-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCCC(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCCC(=O)C

InChI

InChI=1S/C22H23ClN2O2S/c1-4-14(2)16-5-8-18(9-6-16)25-21(27)19-13-17(23)7-10-20(19)24-22(25)28-12-11-15(3)26/h5-10,13-14H,4,11-12H2,1-3H3/t14-/m0/s1