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

Systemtic Name: 3-[6-oxidanylidene-6-(4-phenylpiperidin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-(4-phenyl-1-piperidyl)hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-(4-phenyl-1-piperidinyl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-oxo-6-(4-phenylpiperidin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-(4-phenylpiperidino)hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H29N3O2S/c29-23(27-17-14-20(15-18-27)19-9-3-1-4-10-19)13-5-2-8-16-28-24(30)21-11-6-7-12-22(21)26-25(28)31/h1,3-4,6-7,9-12,20H,2,5,8,13-18H2,(H,26,31)