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

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O3S/c1-4-14(2)23-20(25)17-7-5-6-8-18(17)22-21(23)27-13-19(24)15-9-11-16(26-3)12-10-15/h5-12,14H,4,13H2,1-3H3/t14-/m0/s1