2-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-butan-2-ylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-butan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-[2-(azetidin-1-yl)-2-oxo-ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azetidinyl)-2-oxoethyl]thio]-3-(4-butan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-butan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azetidin-1-yl)-2-keto-ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC4

InChI

InChI=1S/C23H25N3O2S/c1-3-16(2)17-9-11-18(12-10-17)26-22(28)19-7-4-5-8-20(19)24-23(26)29-15-21(27)25-13-6-14-25/h4-5,7-12,16H,3,6,13-15H2,1-2H3