2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C24H28N5O3S2+ MolecularWeight: 498.64082

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H27N5O3S2/c30-22(28-7-9-29(10-8-28)24(31)20-6-3-15-33-20)17-34-23-18-4-1-2-5-19(18)25-21(26-23)16-27-11-13-32-14-12-27/h1-6,15H,7-14,16-17H2/p+1