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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCCC3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCCC3

InChI

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