3-[(2S)-butan-2-yl]-2-[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O2S/c1-4-13(2)24-20(26)17-7-5-6-8-18(17)23-21(24)27-14(3)19(25)15-9-11-16(22)12-10-15/h5-14H,4H2,1-3H3/t13-,14+/m0/s1