N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H20N4O3S2/c25-19(13-28-20-17-8-1-2-9-18(17)21-14-22-20)23-15-6-5-7-16(12-15)29(26,27)24-10-3-4-11-24/h1-2,5-9,12,14H,3-4,10-11,13H2,(H,23,25)