3-(2-methylpropyl)-7-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(2-methylpropyl)-7-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-isobutyl-7-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-(2-methylpropyl)-7-[oxo-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(2-methylpropyl)-7-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-isobutyl-7-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]-2-thioxo-quinazolin-4-olate Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4)[O-]

Isomeric SMILES

CC(C)CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C25H36N4O2S/c1-18(2)16-29-23(31)20-10-9-19(15-21(20)27-24(29)32)22(30)26-17-25(11-5-3-6-12-25)28-13-7-4-8-14-28/h9-10,15,18,31H,3-8,11-14,16-17H2,1-2H3,(H,26,30)