2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-3-isobutyl-quinazolin-4-one CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-6-chloro-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-6-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-6-chloro-3-isobutyl-quinazolin-4-one Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCCCCCC3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCCCCCC3

InChI

InChI=1S/C21H28ClN3O2S/c1-15(2)13-25-20(27)17-12-16(22)8-9-18(17)23-21(25)28-14-19(26)24-10-6-4-3-5-7-11-24/h8-9,12,15H,3-7,10-11,13-14H2,1-2H3