N-(2-methoxy-5-methyl-phenyl)-2-[2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanoylamino]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanoylamino]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]amino]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]amino]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetyl]amino]acetamide Formula: C25H30N5O4S+ MolecularWeight: 496.6018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C25H29N5O4S/c1-17-7-8-21(33-2)20(13-17)28-23(31)14-26-24(32)16-35-25-18-5-3-4-6-19(18)27-22(29-25)15-30-9-11-34-12-10-30/h3-8,13H,9-12,14-16H2,1-2H3,(H,26,32)(H,28,31)/p+1