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

Systemtic Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]-2-thioxo-1H-quinazolin-4-one Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C17H22N4O2S/c1-2-19-9-11-20(12-10-19)15(22)7-8-21-16(23)13-5-3-4-6-14(13)18-17(21)24/h3-6H,2,7-12H2,1H3,(H,18,24)/p+1