3-[4-[(2S)-butan-2-yl]phenyl]-7-chloranyl-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenyl]-7-chloranyl-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one Openeye Name: 2-acetonylsulfanyl-7-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-2-(2-oxopropylthio)-4-quinazolinone IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-2-(2-oxopropylsulfanyl)quinazolin-4-one Traditional Name: 2-(acetonylthio)-7-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S/c1-4-13(2)15-5-8-17(9-6-15)24-20(26)18-10-7-16(22)11-19(18)23-21(24)27-12-14(3)25/h5-11,13H,4,12H2,1-3H3/t13-/m0/s1