6-[(2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2R)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2R)-2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2R)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C23H23N3O4S/c1-4-13(2)26-22(29)16-7-5-6-8-17(16)25-23(26)31-14(3)21(28)15-9-10-19-18(11-15)24-20(27)12-30-19/h5-11,13-14H,4,12H2,1-3H3,(H,24,27)/t13-,14+/m0/s1