N-[3-(azepan-1-yl)propyl]-2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[(7-chloro-1-methyl-2-oxo-4-quinolyl)sulfanyl]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[(7-chloro-1-methyl-2-oxo-4-quinolinyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[(7-chloro-2-keto-1-methyl-4-quinolyl)thio]acetamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)NCCCN3CCCCCC3

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C21H28ClN3O2S/c1-24-18-13-16(22)7-8-17(18)19(14-21(24)27)28-15-20(26)23-9-6-12-25-10-4-2-3-5-11-25/h7-8,13-14H,2-6,9-12,15H2,1H3,(H,23,26)