2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(phenylmethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-N-isopropyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: N-benzyl-N-isopropyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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