2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-bromanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-bromanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-bromo-3-propyl-quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-bromo-3-propyl-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-bromo-3-propylquinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-bromo-3-propyl-quinazolin-4-one Formula: C19H24BrN3O2S MolecularWeight: 438.38176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H24BrN3O2S/c1-2-9-23-18(25)15-12-14(20)7-8-16(15)21-19(23)26-13-17(24)22-10-5-3-4-6-11-22/h7-8,12H,2-6,9-11,13H2,1H3