N-(2,6-dimethylphenyl)-2-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[2-[[4-(methylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]amino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-[[4-(methylamino)quinazolin-2-yl]thio]acetyl]amino]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

InChI

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