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

Systemtic Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Openeye Name: 1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone CAS Name: 1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone IUPAC Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Traditional Name: 1-[4-(2-furfuryl)-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C20H26N2O3S/c23-20(17-26-15-14-25-18-6-2-1-3-7-18)22-10-5-9-21(11-12-22)16-19-8-4-13-24-19/h1-4,6-8,13H,5,9-12,14-17H2