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

Systemtic Name: (2S)-N-(4-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-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(4-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-(p-tolyl)propionamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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