N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(3,4-dimethylphenyl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(3,4-dimethylphenyl)-2-(2-quinolylthio)butyramide Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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