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

Systemtic Name: 3-[6-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H28ClN3O3S/c26-19-11-9-18(10-12-19)25(32)13-16-28(17-14-25)22(30)8-2-1-5-15-29-23(31)20-6-3-4-7-21(20)27-24(29)33/h3-4,6-7,9-12,32H,1-2,5,8,13-17H2,(H,27,33)