3-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]-2-azepanone IUPAC Name: 3-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]azepan-2-one Formula: C16H20ClN3O2S MolecularWeight: 353.8669

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Cl)N=C1SC3CCCCNC3=O

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Cl)N=C1SC3CCCCNC3=O

InChI

InChI=1S/C16H20ClN3O2S/c1-22-9-8-20-13-6-5-11(17)10-12(13)19-16(20)23-14-4-2-3-7-18-15(14)21/h5-6,10,14H,2-4,7-9H2,1H3,(H,18,21)