3-nitro-N-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoyl]benzamide

Systemtic Name: 3-nitro-N-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoyl]benzamide Openeye Name: 3-nitro-N-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]benzamide CAS Name: 3-nitro-N-[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]benzamide Traditional Name: 3-nitro-N-[2-[(4,6,8-trimethyl-2-quinolyl)thio]acetyl]benzamide Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H19N3O4S/c1-12-7-14(3)20-17(8-12)13(2)9-19(23-20)29-11-18(25)22-21(26)15-5-4-6-16(10-15)24(27)28/h4-10H,11H2,1-3H3,(H,22,25,26)