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

Systemtic Name: (2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(2-thienylmethyl)propanamide CAS Name: (2S)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2S)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-N-(2-thenyl)propionamide Formula: C21H25N4O2S2+ MolecularWeight: 429.5788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O2S2/c1-15(20(26)22-13-16-5-4-12-28-16)29-21-17-6-2-3-7-18(17)23-19(24-21)14-25-8-10-27-11-9-25/h2-7,12,15H,8-11,13-14H2,1H3,(H,22,26)/p+1/t15-/m0/s1