6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]hexanamide Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C27H34N4O2S/c32-25(28-19-21-12-14-22(15-13-21)20-30-16-6-2-7-17-30)11-3-1-8-18-31-26(33)23-9-4-5-10-24(23)29-27(31)34/h4-5,9-10,12-15H,1-3,6-8,11,16-20H2,(H,28,32)(H,29,34)/p+1