N-[3-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3S2/c27-21(15-30-22-19-10-3-4-11-20(19)23-16-24-22)25-17-8-7-9-18(14-17)31(28,29)26-12-5-1-2-6-13-26/h3-4,7-11,14,16H,1-2,5-6,12-13,15H2,(H,25,27)