N-(2-ethoxyphenyl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(2-ethoxyphenyl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(2-ethoxyphenyl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(2-ethoxyphenyl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-o-phenetyl-2-(2-quinolylthio)butyramide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O2S/c1-3-19(21(24)23-17-11-7-8-12-18(17)25-4-2)26-20-14-13-15-9-5-6-10-16(15)22-20/h5-14,19H,3-4H2,1-2H3,(H,23,24)