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

Systemtic Name: 7-methoxycarbonyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-methoxycarbonyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-methoxycarbonyl-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-thioxo-quinazolin-4-olate Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-29-21(28)16-7-8-18-19(15-16)23-22(30)26(20(18)27)14-11-24-9-12-25(13-10-24)17-5-3-2-4-6-17/h2-8,15,27H,9-14H2,1H3