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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=NC=C4

InChI

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