(2S)-N-propyl-2-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoylamino]propanamide

Systemtic Name: (2S)-N-propyl-2-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoylamino]propanamide Openeye Name: (2S)-N-propyl-2-[[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide CAS Name: (2S)-2-[[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-N-propyl-2-[[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]amino]propanamide Traditional Name: (2S)-N-propyl-2-[[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]amino]propionamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H22N4O2S2/c1-3-10-21-19(26)13(2)22-17(25)12-28-20-14-7-4-5-8-15(14)23-18(24-20)16-9-6-11-27-16/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,26)(H,22,25)/t13-/m0/s1