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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1H-quinazolin-4-one Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

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)