N-(2-chlorophenyl)-2-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoyl-methyl-amino]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoyl-methyl-amino]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]-methyl-amino]acetamide CAS Name: N-(2-chlorophenyl)-2-[[2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-oxoethyl]-methylamino]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]-methylamino]acetamide Traditional Name: N-(2-chlorophenyl)-2-[[2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]acetyl]-methyl-amino]acetamide Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C22H22ClN5O2S/c1-28(12-19(29)25-18-9-5-3-7-16(18)23)20(30)13-31-22-26-17-8-4-2-6-15(17)21(27-22)24-14-10-11-14/h2-9,14H,10-13H2,1H3,(H,25,29)(H,24,26,27)