1-(3-methylsulfanylpropyl)-4-phenyl-azepane

Systemtic Name: 1-(3-methylsulfanylpropyl)-4-phenyl-azepane Openeye Name: 1-(3-methylsulfanylpropyl)-4-phenyl-azepane CAS Name: 1-[3-(methylthio)propyl]-4-phenylazepane IUPAC Name: 1-(3-methylsulfanylpropyl)-4-phenylazepane Traditional Name: 1-[3-(methylthio)propyl]-4-phenyl-azepane Formula: C16H25NS MolecularWeight: 263.4414

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1CCCC(CC1)C2=CC=CC=C2

Isomeric SMILES

CSCCCN1CCCC(CC1)C2=CC=CC=C2

InChI

InChI=1S/C16H25NS/c1-18-14-6-12-17-11-5-9-16(10-13-17)15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3