3-(2-methylpropyl)-2-(2-methylsulfanylethylsulfanyl)-4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]quinazoline-7-carboxamide

Systemtic Name: 3-(2-methylpropyl)-2-(2-methylsulfanylethylsulfanyl)-4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]quinazoline-7-carboxamide Openeye Name: 3-isobutyl-2-(2-methylsulfanylethylsulfanyl)-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]quinazoline-7-carboxamide CAS Name: 3-(2-methylpropyl)-2-[2-(methylthio)ethylthio]-4-oxo-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-7-quinazolinecarboxamide IUPAC Name: 3-(2-methylpropyl)-2-(2-methylsulfanylethylsulfanyl)-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]quinazoline-7-carboxamide Traditional Name: 3-isobutyl-4-keto-2-[2-(methylthio)ethylthio]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]quinazoline-7-carboxamide Formula: C28H43N4O2S2+ MolecularWeight: 531.79662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4)N=C1SCCSC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4)N=C1SCCSC

InChI

InChI=1S/C28H42N4O2S2/c1-21(2)19-32-26(34)23-11-10-22(18-24(23)30-27(32)36-17-16-35-3)25(33)29-20-28(12-6-4-7-13-28)31-14-8-5-9-15-31/h10-11,18,21H,4-9,12-17,19-20H2,1-3H3,(H,29,33)/p+1