3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-keto-2-(4-piperonylpiperazino)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C22H22N4O4S/c27-20(13-26-21(28)16-3-1-2-4-17(16)23-22(26)31)25-9-7-24(8-10-25)12-15-5-6-18-19(11-15)30-14-29-18/h1-6,11H,7-10,12-14H2,(H,23,31)