2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(2S)-butan-2-yl]quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(2S)-butan-2-yl]quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-[(2S)-butan-2-yl]-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-[(2S)-butan-2-yl]quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O2S/c1-3-15(2)26-22(28)19-6-4-5-7-20(19)25-23(26)29-14-21(27)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,15-18H,3,8-14H2,1-2H3/t15-,16?,17?,18?,24?/m0/s1