1-[1-(4-methylsulfanylphenyl)ethyl]-1,4-diazepane

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)ethyl]-1,4-diazepane Openeye Name: 1-[1-(4-methylsulfanylphenyl)ethyl]-1,4-diazepane CAS Name: 1-[1-[4-(methylthio)phenyl]ethyl]-1,4-diazepane IUPAC Name: 1-[1-(4-methylsulfanylphenyl)ethyl]-1,4-diazepane Traditional Name: 1-[1-[4-(methylthio)phenyl]ethyl]-1,4-diazepane Formula: C14H22N2S MolecularWeight: 250.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)N2CCCNCC2

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)N2CCCNCC2

InChI

InChI=1S/C14H22N2S/c1-12(16-10-3-8-15-9-11-16)13-4-6-14(17-2)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3