3-[2-(4-ethylpiperazin-1-ium-1-yl)ethyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[2-(4-ethylpiperazin-1-ium-1-yl)ethyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-(4-ethylpiperazin-1-ium-1-yl)ethyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-(4-ethyl-1-piperazin-1-iumyl)ethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-(4-ethylpiperazin-1-ium-1-yl)ethyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[2-(4-ethylpiperazin-1-ium-1-yl)ethyl]-2-thioxo-quinazolin-4-olate Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CCN2C(=C3C=CC=CC3=NC2=S)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CCN2C(=C3C=CC=CC3=NC2=S)[O-]

InChI

InChI=1S/C16H22N4OS/c1-2-18-7-9-19(10-8-18)11-12-20-15(21)13-5-3-4-6-14(13)17-16(20)22/h3-6,21H,2,7-12H2,1H3