2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-(2-furfuryl)-1,4-diazepan-1-yl]ethanone Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC4=CC=CO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC4=CC=CO4

InChI

InChI=1S/C22H23ClN2O2S/c23-19-8-1-5-17-6-2-9-20(22(17)19)28-16-21(26)25-11-4-10-24(12-13-25)15-18-7-3-14-27-18/h1-3,5-9,14H,4,10-13,15-16H2