2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenyl-butanamide

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenyl-butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-phenyl-butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-phenylbutanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenylbutanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-phenyl-butyramide Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-4-18(21(24)22-16-10-6-5-7-11-16)25-19-13-15(3)17-12-8-9-14(2)20(17)23-19/h5-13,18H,4H2,1-3H3,(H,22,24)