N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S2/c1-26-22(29)19-11-4-5-12-20(19)25-23(26)32-16-21(28)24-17-9-8-10-18(15-17)33(30,31)27-13-6-2-3-7-14-27/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,24,28)