N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[[4-(methylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[[4-(methylamino)quinazolin-2-yl]thio]acetamide Formula: C18H17ClN4O3S2 MolecularWeight: 436.93558

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H17ClN4O3S2/c1-20-17-12-5-3-4-6-14(12)22-18(23-17)27-10-16(24)21-15-9-11(28(2,25)26)7-8-13(15)19/h3-9H,10H2,1-2H3,(H,21,24)(H,20,22,23)