N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-indan-5-yl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-indan-5-yl-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C26H31N4O3S+ MolecularWeight: 479.61434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

InChI

InChI=1S/C26H30N4O3S/c31-24(27-21-10-9-19-5-3-6-20(19)17-21)18-34-26-28-23-8-2-1-7-22(23)25(32)30(26)12-4-11-29-13-15-33-16-14-29/h1-2,7-10,17H,3-6,11-16,18H2,(H,27,31)/p+1