N-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-3-nitro-benzamide Openeye Name: N-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]-3-nitro-benzamide CAS Name: N-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-methylquinolin-2-yl)sulfanylacetyl]-3-nitrobenzamide Traditional Name: N-[2-[(4-methyl-2-quinolyl)thio]acetyl]-3-nitro-benzamide Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O4S/c1-12-9-18(20-16-8-3-2-7-15(12)16)27-11-17(23)21-19(24)13-5-4-6-14(10-13)22(25)26/h2-10H,11H2,1H3,(H,21,23,24)