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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

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