3-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]propanamide CAS Name: 3-[[2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[[4-(ethylamino)quinazolin-2-yl]thio]acetyl]amino]propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-2-24-21-17-10-6-7-11-18(17)25-22(26-21)30-15-20(29)27(13-12-19(23)28)14-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H2,23,28)(H,24,25,26)