(2-phenylsulfanylpyridin-3-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-(phenylthio)-3-pyridinyl]-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-phenylsulfanylpyridin-3-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H24N4OS/c28-23(21-11-6-13-25-22(21)29-20-9-2-1-3-10-20)27-15-7-14-26(16-17-27)18-19-8-4-5-12-24-19/h1-6,8-13H,7,14-18H2