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

Systemtic Name: 3-[6-oxidanylidene-6-(4-phenylazanylpiperidin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-(4-anilino-1-piperidyl)-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-(4-anilino-1-piperidinyl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-(4-anilinopiperidin-1-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-(4-anilinopiperidino)-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCC1NC2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H30N4O2S/c30-23(28-17-14-20(15-18-28)26-19-9-3-1-4-10-19)13-5-2-8-16-29-24(31)21-11-6-7-12-22(21)27-25(29)32/h1,3-4,6-7,9-12,20,26H,2,5,8,13-18H2,(H,27,32)