3-ethyl-7-(4-propan-2-ylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-ethyl-7-(4-propan-2-ylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-(4-isopropylpiperazin-4-ium-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[oxo-(4-propan-2-yl-1-piperazin-4-iumyl)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-(4-propan-2-ylpiperazin-4-ium-1-carbonyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-(4-isopropylpiperazin-4-ium-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CC[NH+](CC3)C(C)C)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CC[NH+](CC3)C(C)C)[O-]

InChI

InChI=1S/C18H24N4O2S/c1-4-22-17(24)14-6-5-13(11-15(14)19-18(22)25)16(23)21-9-7-20(8-10-21)12(2)3/h5-6,11-12,24H,4,7-10H2,1-3H3