N-(4-ethylphenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethylphenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethylphenyl)-2-[[3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-ethylphenyl)-2-[[4-keto-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]quinazolin-2-yl]thio]acetamide Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCC(CC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCC(CC4)C

InChI

InChI=1S/C27H34N4O2S/c1-3-21-9-11-22(12-10-21)28-25(32)19-34-27-29-24-8-5-4-7-23(24)26(33)31(27)16-6-15-30-17-13-20(2)14-18-30/h4-5,7-12,20H,3,6,13-19H2,1-2H3,(H,28,32)/p+1