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

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenyl]-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[4-[(1S)-1-methylpropyl]phenyl]-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-quinazolin-4-one CAS Name: 3-[4-[(2S)-butan-2-yl]phenyl]-2-[[(3S)-2-oxo-3-azepanyl]thio]-4-quinazolinone IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenyl]-2-[(3S)-2-oxoazepan-3-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[(3S)-2-ketoazepan-3-yl]thio]-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCNC4=O

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H]4CCCCNC4=O

InChI

InChI=1S/C24H27N3O2S/c1-3-16(2)17-11-13-18(14-12-17)27-23(29)19-8-4-5-9-20(19)26-24(27)30-21-10-6-7-15-25-22(21)28/h4-5,8-9,11-14,16,21H,3,6-7,10,15H2,1-2H3,(H,25,28)/t16-,21-/m0/s1