N-(4-phenoxyphenyl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(4-phenoxyphenyl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(4-phenoxyphenyl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(4-phenoxyphenyl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(4-phenoxyphenyl)-2-(2-quinolylthio)butyramide Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H22N2O2S/c1-2-23(30-24-17-12-18-8-6-7-11-22(18)27-24)25(28)26-19-13-15-21(16-14-19)29-20-9-4-3-5-10-20/h3-17,23H,2H2,1H3,(H,26,28)