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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[4-(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=C(C=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

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

InChI

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