2-[[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S/c1-3-13(2)24-20(27)16-10-6-7-11-17(16)22-21(24)28-12-23-18(25)14-8-4-5-9-15(14)19(23)26/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1