3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCC12OCCO2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H27N3O4S/c25-18(23-12-9-21(10-13-23)27-14-15-28-21)8-2-1-5-11-24-19(26)16-6-3-4-7-17(16)22-20(24)29/h3-4,6-7H,1-2,5,8-15H2,(H,22,29)