7-methoxycarbonyl-3-[2-oxidanylidene-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]ethyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-3-[2-oxidanylidene-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]ethyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-methoxycarbonyl-3-[2-oxo-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]ethyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-methoxycarbonyl-3-[2-oxo-2-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]ethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-3-[2-oxo-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]ethyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-[2-keto-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]ethyl]-2-thioxo-quinazolin-4-olate Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O4S/c1-33-23(32)17-7-8-19-20(15-17)26-24(34)29(22(19)31)16-21(30)25-9-10-27-11-13-28(14-12-27)18-5-3-2-4-6-18/h2-8,15,31H,9-14,16H2,1H3,(H,25,30)