4-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)butanamide

Systemtic Name: 4-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)butanamide Openeye Name: 4-phenyl-N-[3-(4-pyridylsulfanyl)propyl]butanamide CAS Name: 4-phenyl-N-[3-(pyridin-4-ylthio)propyl]butanamide IUPAC Name: 4-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)butanamide Traditional Name: 4-phenyl-N-[3-(4-pyridylthio)propyl]butyramide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NCCCSC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NCCCSC2=CC=NC=C2

InChI

InChI=1S/C18H22N2OS/c21-18(9-4-8-16-6-2-1-3-7-16)20-12-5-15-22-17-10-13-19-14-11-17/h1-3,6-7,10-11,13-14H,4-5,8-9,12,15H2,(H,20,21)