2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1S)-1-phenylbutyl]ethanamide

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1S)-1-phenylbutyl]ethanamide Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1S)-1-phenylbutyl]acetamide CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-[(1S)-1-phenylbutyl]acetamide IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1S)-1-phenylbutyl]acetamide Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-N-[(1S)-1-phenylbutyl]acetamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C25H30N4O2S/c1-2-8-21(19-9-4-3-5-10-19)27-24(30)18-32-25-20-11-6-7-12-22(20)26-23(28-25)17-29-13-15-31-16-14-29/h3-7,9-12,21H,2,8,13-18H2,1H3,(H,27,30)/p+1/t21-/m0/s1