2-[4-[2-(6-fluoranylquinolin-4-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(6-fluoranylquinolin-4-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-[(6-fluoro-4-quinolyl)sulfanyl]acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-[(6-fluoro-4-quinolinyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(6-fluoroquinolin-4-yl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-[(6-fluoro-4-quinolyl)thio]acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C24H25FN4O2S MolecularWeight: 452.544303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H25FN4O2S/c25-18-7-8-21-20(15-18)22(9-10-26-21)32-17-24(31)29-12-4-11-28(13-14-29)16-23(30)27-19-5-2-1-3-6-19/h1-3,5-10,15H,4,11-14,16-17H2,(H,27,30)