2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-25-12-9-24-20(25)15-26-10-4-11-27(14-13-26)21(28)16-29-19-8-3-6-17-5-2-7-18(23)22(17)19/h2-3,5-9,12H,4,10-11,13-16H2,1H3