N-[(4-methylsulfanylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Traditional Name: N-[4-(methylthio)benzyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N4CCCCCC4=N3

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N4CCCCCC4=N3

InChI

InChI=1S/C21H23N3OS/c1-26-17-9-6-15(7-10-17)14-22-21(25)16-8-11-19-18(13-16)23-20-5-3-2-4-12-24(19)20/h6-11,13H,2-5,12,14H2,1H3,(H,22,25)