3-methyl-N-[4-(2-quinolin-2-ylsulfanylethanoyl)phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-(2-quinolin-2-ylsulfanylethanoyl)phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-(2-quinolylsulfanyl)acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[1-oxo-2-(2-quinolinylthio)ethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-(2-quinolin-2-ylsulfanylacetyl)phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-(2-quinolylthio)acetyl]phenyl]butyramide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O2S/c1-15(2)13-21(26)23-18-10-7-17(8-11-18)20(25)14-27-22-12-9-16-5-3-4-6-19(16)24-22/h3-12,15H,13-14H2,1-2H3,(H,23,26)