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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3NC2=S

InChI

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