3-[4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]benzonitrile CAS Name: 3-[4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]benzonitrile Traditional Name: 3-[4-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazino]benzonitrile Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H27N5O2S/c26-18-19-7-6-8-20(17-19)28-13-15-29(16-14-28)23(31)11-2-1-5-12-30-24(32)21-9-3-4-10-22(21)27-25(30)33/h3-4,6-10,17H,1-2,5,11-16H2,(H,27,33)