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

Systemtic Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H20N4O2S/c1-2-18-7-9-19(10-8-18)14(21)11-20-15(22)12-5-3-4-6-13(12)17-16(20)23/h3-6H,2,7-11H2,1H3,(H,17,23)/p+1