1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 1-[4-(2-furfuryl)-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2S/c27-24(26-15-8-14-25(16-17-26)19-21-11-7-18-28-21)23(20-9-3-1-4-10-20)29-22-12-5-2-6-13-22/h1-7,9-13,18,23H,8,14-17,19H2