2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22ClN3O2S/c1-27-11-10-25-19-7-6-17(22)12-18(19)23-21(25)28-14-20(26)24-9-8-15-4-2-3-5-16(15)13-24/h2-7,12H,8-11,13-14H2,1H3