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

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-18(19-7-3-2-4-8-19)15-25-23(29)17-31-24-20-9-5-6-10-21(20)26-22(27-24)16-28-11-13-30-14-12-28/h2-10,18H,11-17H2,1H3,(H,25,29)/p+1/t18-/m1/s1