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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-ethyl-quinazolin-4-one Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O2S/c1-2-21-17(23)14-9-5-6-10-15(14)19-18(21)24-13-16(22)20-11-7-3-4-8-12-20/h5-6,9-10H,2-4,7-8,11-13H2,1H3