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

Systemtic Name: (2S)-N-(2-methylsulfanylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(2-methylsulfanylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-[2-(methylthio)phenyl]-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(2-methylsulfanylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-[2-(methylthio)phenyl]-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]propionamide Formula: C23H27N4O2S2+ MolecularWeight: 455.61608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C23H26N4O2S2/c1-16(22(28)25-19-9-5-6-10-20(19)30-2)31-23-17-7-3-4-8-18(17)24-21(26-23)15-27-11-13-29-14-12-27/h3-10,16H,11-15H2,1-2H3,(H,25,28)/p+1/t16-/m0/s1