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

Systemtic Name: 3-[6-oxidanylidene-6-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-oxo-6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-(2-keto-2-piperidino-ethyl)piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H35N5O3S MolecularWeight: 485.6421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H35N5O3S/c31-22(29-17-15-27(16-18-29)19-23(32)28-12-6-2-7-13-28)11-3-1-8-14-30-24(33)20-9-4-5-10-21(20)26-25(30)34/h4-5,9-10H,1-3,6-8,11-19H2,(H,26,34)