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

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-(phenylthio)-3-pyridinyl]-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-phenylsulfanylpyridin-3-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-[4-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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