2-[2-[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanylethanoylamino]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[2-[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanylethanoylamino]-N,N-dimethyl-ethanamide Openeye Name: 2-[[2-[4-(2-chloroanilino)quinazolin-2-yl]sulfanylacetyl]amino]-N,N-dimethyl-acetamide CAS Name: 2-[[2-[[4-(2-chloroanilino)-2-quinazolinyl]thio]-1-oxoethyl]amino]-N,N-dimethylacetamide IUPAC Name: 2-[[2-[4-(2-chloroanilino)quinazolin-2-yl]sulfanylacetyl]amino]-N,N-dimethylacetamide Traditional Name: 2-[[2-[[4-(2-chloroanilino)quinazolin-2-yl]thio]acetyl]amino]-N,N-dimethyl-acetamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3Cl

Isomeric SMILES

CN(C)C(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-26(2)18(28)11-22-17(27)12-29-20-24-15-9-5-3-7-13(15)19(25-20)23-16-10-6-4-8-14(16)21/h3-10H,11-12H2,1-2H3,(H,22,27)(H,23,24,25)