2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C16H19N3O2S/c20-14(19-9-5-1-2-6-10-19)11-22-16-17-13-8-4-3-7-12(13)15(21)18-16/h3-4,7-8H,1-2,5-6,9-11H2,(H,17,18,21)/p-1