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

Systemtic Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(2-furylmethyl)-1,4-diazepan-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(2-furanylmethyl)-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(2-furfuryl)-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridyl]methanone Formula: C22H23N3O2S MolecularWeight: 393.50192

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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=CO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C22H23N3O2S/c26-22(20-10-4-11-23-21(20)28-19-8-2-1-3-9-19)25-13-6-12-24(14-15-25)17-18-7-5-16-27-18/h1-5,7-11,16H,6,12-15,17H2