N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H24N4O4S2/c1-2-30-19-10-9-16(13-20(19)32(28,29)26-11-5-6-12-26)25-21(27)14-31-22-17-7-3-4-8-18(17)23-15-24-22/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,25,27)