3-[(2S)-butan-2-yl]-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(1S)-1-methylpropyl]-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[(1S)-2-oxocyclohexyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(1S)-2-ketocyclohexyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC3CCCCC3=O

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H]3CCCCC3=O

InChI

InChI=1S/C18H22N2O2S/c1-3-12(2)20-17(22)13-8-4-5-9-14(13)19-18(20)23-16-11-7-6-10-15(16)21/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3/t12-,16-/m0/s1