(2S)-N-(3-methylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(m-tolyl)propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-N-(m-tolyl)propionamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C23H26N4O2S/c1-16-6-5-7-18(14-16)24-22(28)17(2)30-23-19-8-3-4-9-20(19)25-21(26-23)15-27-10-12-29-13-11-27/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,28)/p+1/t17-/m0/s1