2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(2S)-butan-2-yl]quinazolin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(2S)-butan-2-yl]quinazolin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)-3-[(2S)-butan-2-yl]-4-quinazolinone IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(2S)-butan-2-yl]quinazolin-4-one Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O2S/c1-3-13(2)23-19(24)14-8-4-5-9-15(14)22-20(23)26-12-18-21-16-10-6-7-11-17(16)25-18/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1