N-(2,5-dimethylphenyl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(2,5-dimethylphenyl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(2,5-dimethylphenyl)-2-(2-quinolylthio)butyramide Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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