N-(3-ethanoylphenyl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(3-acetylphenyl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(3-acetylphenyl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(3-acetylphenyl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(3-acetylphenyl)-2-(2-quinolylthio)butyramide Formula: C21H20N2O2S MolecularWeight: 364.4607

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-3-19(21(25)22-17-9-6-8-16(13-17)14(2)24)26-20-12-11-15-7-4-5-10-18(15)23-20/h4-13,19H,3H2,1-2H3,(H,22,25)