3-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-ethyl-1-piperazin-4-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C17H25N4OS+ MolecularWeight: 333.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C17H24N4OS/c1-2-19-10-12-20(13-11-19)8-5-9-21-16(22)14-6-3-4-7-15(14)18-17(21)23/h3-4,6-7H,2,5,8-13H2,1H3,(H,18,23)/p+1