2-[4-(3-phenylsulfanylpropyl)-1,4-diazepan-1-yl]ethanamine

Systemtic Name: 2-[4-(3-phenylsulfanylpropyl)-1,4-diazepan-1-yl]ethanamine Openeye Name: 2-[4-(3-phenylsulfanylpropyl)-1,4-diazepan-1-yl]ethanamine CAS Name: 2-[4-[3-(phenylthio)propyl]-1,4-diazepan-1-yl]ethanamine IUPAC Name: 2-[4-(3-phenylsulfanylpropyl)-1,4-diazepan-1-yl]ethanamine Traditional Name: 2-[4-[3-(phenylthio)propyl]-1,4-diazepan-1-yl]ethylamine Formula: C16H27N3S MolecularWeight: 293.47068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CCN)CCCSC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN(C1)CCN)CCCSC2=CC=CC=C2

InChI

InChI=1S/C16H27N3S/c17-8-12-19-10-4-9-18(13-14-19)11-5-15-20-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,17H2