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

Systemtic Name: 3-[6-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-[4-[2-(p-tolyl)ethyl]-1-piperidyl]hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-[2-(p-tolyl)ethyl]piperidino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C28H35N3O2S/c1-21-10-12-22(13-11-21)14-15-23-16-19-30(20-17-23)26(32)9-3-2-6-18-31-27(33)24-7-4-5-8-25(24)29-28(31)34/h4-5,7-8,10-13,23H,2-3,6,9,14-20H2,1H3,(H,29,34)