N-(3-chloranyl-2-methyl-phenyl)-2-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoylamino]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoylamino]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]amino]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[2-[[4-(methylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]amino]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[2-[[4-(methylamino)quinazolin-2-yl]thio]acetyl]amino]acetamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

InChI

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