N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O4S2/c1-15-6-7-16(31(27,28)25-8-10-29-11-9-25)12-19(15)24-20(26)13-30-21-17-4-2-3-5-18(17)22-14-23-21/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)