N-(3,4-dimethylphenyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[[4-oxo-3-[3-(1-piperidin-1-iumyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[4-keto-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C26H33N4O2S+ MolecularWeight: 465.63082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCCCC4)C

InChI

InChI=1S/C26H32N4O2S/c1-19-11-12-21(17-20(19)2)27-24(31)18-33-26-28-23-10-5-4-9-22(23)25(32)30(26)16-8-15-29-13-6-3-7-14-29/h4-5,9-12,17H,3,6-8,13-16,18H2,1-2H3,(H,27,31)/p+1