2-[4-[2-[phenyl(pyridin-3-yl)methyl]sulfanylethyl]-1,4-diazepan-1-yl]ethanamine

Systemtic Name: 2-[4-[2-[phenyl(pyridin-3-yl)methyl]sulfanylethyl]-1,4-diazepan-1-yl]ethanamine Openeye Name: 2-[4-[2-[phenyl(3-pyridyl)methyl]sulfanylethyl]-1,4-diazepan-1-yl]ethanamine CAS Name: 2-[4-[2-[[phenyl(3-pyridinyl)methyl]thio]ethyl]-1,4-diazepan-1-yl]ethanamine IUPAC Name: 2-[4-[2-[phenyl(pyridin-3-yl)methyl]sulfanylethyl]-1,4-diazepan-1-yl]ethanamine Traditional Name: 2-[4-[2-[[phenyl(3-pyridyl)methyl]thio]ethyl]-1,4-diazepan-1-yl]ethylamine Formula: C21H30N4S MolecularWeight: 370.5547

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CCSC(C2=CC=CC=C2)C3=CN=CC=C3)CCN

Isomeric SMILES

C1CN(CCN(C1)CCSC(C2=CC=CC=C2)C3=CN=CC=C3)CCN

InChI

InChI=1S/C21H30N4S/c22-9-13-24-11-5-12-25(15-14-24)16-17-26-21(19-6-2-1-3-7-19)20-8-4-10-23-18-20/h1-4,6-8,10,18,21H,5,9,11-17,22H2