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

Systemtic Name: 3-[6-oxidanylidene-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-[4-(2-thienylmethyl)piperazin-1-yl]hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-[4-(thiophen-2-ylmethyl)-1-piperazinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-oxo-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-(2-thenyl)piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H28N4O2S2/c28-21(26-14-12-25(13-15-26)17-18-7-6-16-31-18)10-2-1-5-11-27-22(29)19-8-3-4-9-20(19)24-23(27)30/h3-4,6-9,16H,1-2,5,10-15,17H2,(H,24,30)