3-[6-(3-methylpiperidin-1-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-(3-methylpiperidin-1-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-(3-methyl-1-piperidyl)-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-(3-methyl-1-piperidinyl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-(3-methylpiperidin-1-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-(3-methylpiperidino)hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1CCCN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H27N3O2S/c1-15-8-7-12-22(14-15)18(24)11-3-2-6-13-23-19(25)16-9-4-5-10-17(16)21-20(23)26/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3,(H,21,26)