N-(3-ethanoylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-acetylphenyl)-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3-acetylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-acetylphenyl)-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C22H22N2O2S/c1-4-20(22(26)23-17-9-7-8-16(13-17)15(3)25)27-21-12-14(2)18-10-5-6-11-19(18)24-21/h5-13,20H,4H2,1-3H3,(H,23,26)