2-[[2-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[2-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2-oxo-ethyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2-keto-ethyl]thio]methyl]-1H-quinazolin-4-one Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H22ClN3O3S/c23-16-7-5-15(6-8-16)22(29)9-11-26(12-10-22)20(27)14-30-13-19-24-18-4-2-1-3-17(18)21(28)25-19/h1-8,29H,9-14H2,(H,24,25,28)