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

Systemtic Name: 3-[6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-[2-(4-methoxyphenyl)ethyl]piperidino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C28H35N3O3S/c1-34-23-14-12-21(13-15-23)10-11-22-16-19-30(20-17-22)26(32)9-3-2-6-18-31-27(33)24-7-4-5-8-25(24)29-28(31)35/h4-5,7-8,12-15,22H,2-3,6,9-11,16-20H2,1H3,(H,29,35)