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

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(4-fluorophenyl)thio]-1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(4-fluorophenyl)thio]-1-[4-(2-furfuryl)-1,4-diazepan-1-yl]ethanone Formula: C18H21FN2O2S MolecularWeight: 348.434943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=C(C=C2)F)CC3=CC=CO3

InChI

InChI=1S/C18H21FN2O2S/c19-15-4-6-17(7-5-15)24-14-18(22)21-9-2-8-20(10-11-21)13-16-3-1-12-23-16/h1,3-7,12H,2,8-11,13-14H2