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

Systemtic Name: (2S)-2-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]amino]-N-propyl-propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-3-13-23-21(29)15(2)24-19(28)14-30-22-26-18-12-8-7-11-17(18)20(27-22)25-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,29)(H,24,28)(H,25,26,27)/t15-/m0/s1