3-[6-(3,5-dimethylpiperidin-1-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-(3,5-dimethylpiperidin-1-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-(3,5-dimethyl-1-piperidyl)-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-(3,5-dimethyl-1-piperidinyl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-(3,5-dimethylpiperidin-1-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-(3,5-dimethylpiperidino)-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C

InChI

InChI=1S/C21H29N3O2S/c1-15-12-16(2)14-23(13-15)19(25)10-4-3-7-11-24-20(26)17-8-5-6-9-18(17)22-21(24)27/h5-6,8-9,15-16H,3-4,7,10-14H2,1-2H3,(H,22,27)