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

Systemtic Name: (2S)-N-ethyl-2-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]propanamide Openeye Name: (2S)-2-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]amino]-N-ethyl-propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-3-22-20(28)14(2)23-18(27)13-29-21-25-17-12-8-7-11-16(17)19(26-21)24-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,22,28)(H,23,27)(H,24,25,26)/t14-/m0/s1