3-hexyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-hexyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-hexyl-quinazolin-4-one CAS Name: 3-hexyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-hexylquinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-hexyl-quinazolin-4-one Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O2S/c1-2-3-4-10-17-31-27(33)24-13-8-9-14-25(24)29-28(31)34-21-26(32)30-18-15-23(16-19-30)20-22-11-6-5-7-12-22/h5-9,11-14,23H,2-4,10,15-21H2,1H3